data_1v6b_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 1v6b _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 ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.1 t -172.98 -44.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.379 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.78 -37.71 6.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -77.08 179.91 5.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.66 163.59 25.55 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -21.19 16.16 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.52 1.8 . . . . 0.0 111.04 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.53 11.85 38.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.348 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -111.34 -44.54 3.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.3 pt -78.74 -55.36 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.355 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 57.1 68.93 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 42.58 34.82 1.84 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.53 1.144 . . . . 0.0 110.954 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.15 172.46 2.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 0.784 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -115.25 86.07 2.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -111.16 153.34 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.418 1.073 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -131.48 171.4 13.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.259 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.8 tp -123.7 96.88 5.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.348 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.47 ' CD1' HG13 ' A' ' 62' ' ' VAL . 25.0 mt -89.13 140.67 29.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.86 117.97 31.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.408 HG12 ' CB ' ' A' ' 59' ' ' HIS . 96.5 mt -105.24 141.95 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.406 ' O ' ' CH2' ' A' ' 92' ' ' TRP . 5.9 ttpp -76.97 138.77 39.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.567 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 41.8 mttt -84.21 60.09 5.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -134.8 127.45 30.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.341 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.1 34.17 15.56 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.529 ' O ' ' CZ2' ' A' ' 92' ' ' TRP . 4.9 p 63.01 -177.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 109.996 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.522 ' HB2' ' CD2' ' A' ' 92' ' ' TRP . 26.0 tp -94.86 -67.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 58.33 81.56 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.9 tp -145.25 146.19 31.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -115.83 142.0 47.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.1 mt -126.6 156.99 40.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -156.12 140.29 16.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.12 -143.69 18.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 38' ' ' VAL . . . 60.38 -161.59 20.81 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.554 ' CG1' ' N ' ' A' ' 39' ' ' ASP . 1.6 p 35.14 -150.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.554 ' N ' ' CG1' ' A' ' 38' ' ' VAL . 4.6 m-20 -88.45 51.22 2.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.6 170.67 8.18 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -6.74 18.44 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.497 1.788 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.454 ' CG1' ' HG2' ' A' ' 44' ' ' LYS . 72.3 t -87.68 -58.31 3.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.35 19.45 58.68 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.454 ' HG2' ' CG1' ' A' ' 42' ' ' VAL . 23.0 pttt -163.7 177.65 8.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.776 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 32.6 t -102.14 118.18 48.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.6 m -131.15 135.03 60.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 42.6 t -58.12 116.48 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.423 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 13.1 t -66.87 -47.71 71.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.55 149.61 6.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 86.1 t -105.71 93.14 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.3 m-30 -44.88 117.73 1.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.85 -21.22 63.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -104.09 54.12 0.67 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.445 1.091 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -153.38 -179.26 28.7 Favored Glycine 0 CA--C 1.529 0.947 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.578 ' HB1' ' CH2' ' A' ' 92' ' ' TRP . . . -78.68 -18.53 54.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 0.76 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.29 -55.22 22.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.264 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 58' ' ' ARG . 12.8 tm-20 -58.09 -50.69 72.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 57' ' ' GLU . 3.1 mtt-85 -37.72 -53.14 1.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.408 ' CB ' HG12 ' A' ' 24' ' ' ILE . 51.7 t-80 -57.48 -65.81 0.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.588 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.34 -147.81 19.74 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.12 -80.39 1.11 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.47 HG13 ' CD1' ' A' ' 22' ' ' LEU . 11.9 m -88.52 156.17 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 0.744 . . . . 0.0 109.363 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.406 ' O ' ' CG ' ' A' ' 66' ' ' ASP . 3.9 m -140.34 179.05 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.423 ' CD ' ' O ' ' A' ' 48' ' ' SER . 5.1 ttpp -45.52 152.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.15 -1.33 77.02 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.469 ' HB3' ' CG2' ' A' ' 103' ' ' VAL . 68.3 m-20 -60.15 178.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -123.01 79.12 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.8 mm -67.61 140.46 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.495 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 44.5 mtm -139.65 -46.15 0.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -127.24 144.18 51.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 41.0 mt -124.88 110.51 25.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 58.21 18.07 5.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.96 45.3 2.89 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.99 101.89 4.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 0.758 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 6.6 mt -52.14 117.75 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 69' ' ' MET . 35.3 m -123.55 21.09 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 28.2 p -63.03 -23.22 67.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.401 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.07 26.98 6.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.563 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.3 OUTLIER -96.31 151.64 19.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.466 HG21 ' CB ' ' A' ' 38' ' ' VAL . 1.9 p -91.15 157.15 17.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.367 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 85' ' ' GLU . 3.5 mt -39.64 -63.89 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -48.08 -65.16 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.563 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 34.6 mt-10 -38.89 -68.94 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -52.59 -66.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 84' ' ' ALA . 6.8 mt-10 -37.11 -61.84 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.09 -55.78 30.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.87 -68.66 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.415 ' HG ' ' CD2' ' A' ' 30' ' ' LEU . 6.7 tp -41.25 -51.02 3.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 90' ' ' LYS . 0.2 OUTLIER -50.89 -58.72 5.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 89' ' ' GLN . 8.7 mttm -38.49 -53.7 1.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -47.4 -68.78 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.578 ' CH2' ' HB1' ' A' ' 55' ' ' ALA . 5.3 t-105 -50.38 -49.84 53.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 108.019 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 94' ' ' GLN . 3.0 m-80 -44.35 -50.58 9.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 93' ' ' ASN . 22.1 mt-30 -35.21 -43.02 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 110.346 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 96.98 31.58 6.88 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.467 ' CA ' ' HD3' ' A' ' 26' ' ' LYS . . . -64.07 -171.28 2.18 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -97.21 -44.55 6.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 0.751 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -142.35 162.73 34.73 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.419 HG23 ' CZ3' ' A' ' 92' ' ' TRP . 1.9 tt -131.27 129.42 62.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -96.91 108.9 21.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 95.2 mt -96.74 125.15 40.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 19.1 t -100.67 100.72 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.469 ' CG2' ' HB3' ' A' ' 66' ' ' ASP . 1.3 p -134.83 140.84 44.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.436 ' N ' HG22 ' A' ' 103' ' ' VAL . . . -71.88 168.96 16.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 41.4 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.1 t -167.75 -52.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 110.413 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 mpp? -51.53 -34.66 37.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.966 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -76.85 163.08 27.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 0.0 111.042 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.88 167.96 28.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.02 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -34.01 4.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.461 1.769 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -89.26 19.69 4.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -117.27 -52.46 2.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.423 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 4.5 pt -76.8 -57.89 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.411 ' N ' ' CG1' ' A' ' 14' ' ' ILE . . . 62.93 -128.81 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.02 28.39 12.95 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 7.1 mttp -69.44 168.01 15.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.763 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -128.27 89.46 2.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -117.09 149.78 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -129.46 176.43 7.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 tp -123.26 121.55 36.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.7 mt -111.38 122.15 47.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.604 ' NH2' ' CH2' ' A' ' 98' ' ' TRP . 0.0 OUTLIER -93.88 125.31 38.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 110.324 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 99' ' ' ILE . 59.7 mt -109.5 155.59 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.77 149.51 21.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.557 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 11.2 mttt -101.39 83.96 2.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -123.91 131.28 53.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.17 -80.03 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.485 1.116 . . . . 0.0 111.055 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -158.69 175.88 13.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 0.742 . . . . 0.0 110.001 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.537 HD12 ' CZ3' ' A' ' 92' ' ' TRP . 26.6 tp -101.26 -38.16 8.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 41.37 64.9 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.467 ' CD1' HG11 ' A' ' 47' ' ' VAL . 47.1 tp -124.53 141.64 51.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -107.47 148.46 29.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' A' ' 47' ' ' VAL . 46.2 mt -130.43 157.46 42.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.455 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 21.2 pt-20 -155.9 152.87 28.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.93 -144.65 16.72 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.474 ' O ' ' C ' ' A' ' 38' ' ' VAL . . . 64.4 -161.72 38.08 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.525 ' CG1' ' N ' ' A' ' 39' ' ' ASP . 1.9 p 34.72 -149.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 109.347 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.525 ' N ' ' CG1' ' A' ' 38' ' ' VAL . 5.7 m-20 -89.64 50.98 1.99 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.475 ' CB ' ' CD ' ' A' ' 41' ' ' PRO . 0.9 OUTLIER -93.96 176.92 2.14 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 109.992 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 40' ' ' SER . 18.2 Cg_endo -75.06 -20.83 16.37 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.539 1.81 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.463 ' CG1' ' HG2' ' A' ' 44' ' ' LYS . 54.0 t -73.57 -66.39 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.79 25.77 19.19 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.463 ' HG2' ' CG1' ' A' ' 42' ' ' VAL . 18.5 pttt -171.23 176.09 4.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.5 t -99.63 116.82 43.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.4 m -135.91 133.77 50.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.471 ' HA ' ' CD2' ' A' ' 34' ' ' LEU . 74.8 t -58.92 117.2 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.502 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 44.0 t -70.49 -47.77 58.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.64 132.79 2.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 109.256 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.464 HG23 ' CB ' ' A' ' 56' ' ' ALA . 2.6 p -103.39 99.05 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -52.6 121.06 6.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -50.39 -23.06 2.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.31 49.33 3.22 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -145.95 177.46 24.31 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.483 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -75.47 -40.83 56.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.736 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.464 ' CB ' HG23 ' A' ' 50' ' ' VAL . . . -41.95 -59.98 1.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -54.62 -42.57 71.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.39 -49.6 44.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.278 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.448 ' NE2' ' O ' ' A' ' 23' ' ' ARG . 49.6 t-80 -50.31 -63.79 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.602 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.18 79.27 1.27 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.54 1.15 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -179.86 -56.89 0.08 OUTLIER Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.3 p -91.38 119.65 39.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 0.746 . . . . 0.0 109.35 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.9 m -123.78 -161.17 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.502 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.5 OUTLIER -74.98 138.48 42.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 104.86 -21.76 35.39 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.467 1.105 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.488 ' HB3' ' CG1' ' A' ' 103' ' ' VAL . 0.5 OUTLIER -52.32 130.8 31.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 109.266 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.409 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 2.2 mt-10 -78.24 98.87 6.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.7 mm -77.68 136.47 24.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 17.2 mtm -131.92 -46.32 0.94 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.097 . . . . 0.0 110.996 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -130.04 146.65 51.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 37.5 mt -125.29 107.99 19.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 63.22 15.08 8.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 120.19 -52.71 0.71 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.24 136.15 25.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 0.748 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.5 mt -78.35 133.38 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.436 ' CA ' ' HB2' ' A' ' 79' ' ' TYR . 15.2 m -123.36 22.93 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 28.9 p -59.36 -55.06 39.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.104 . . . . 0.0 110.404 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -103.04 35.58 2.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.436 ' HB2' ' CA ' ' A' ' 76' ' ' VAL . 0.3 OUTLIER -96.21 147.14 24.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.118 . . . . 0.0 110.999 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.46 HG21 ' CB ' ' A' ' 38' ' ' VAL . 2.6 p -89.61 157.05 18.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.434 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.455 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 3.6 mt -40.79 -63.03 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.75 -57.88 5.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.67 -68.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -54.46 -64.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 84' ' ' ALA . 11.0 mt-10 -37.47 -56.13 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 87' ' ' ALA . . . -63.16 -59.22 5.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 86' ' ' ALA . . . -40.29 -67.12 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 39.4 tp -40.84 -60.05 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -48.95 -58.93 4.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 93' ' ' ASN . 20.4 mttt -41.16 -65.58 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -42.07 -44.21 3.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.557 ' CZ2' ' HA ' ' A' ' 26' ' ' LYS . 10.8 t-105 -65.29 -47.03 78.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 107.98 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 90' ' ' LYS . 47.8 m-80 -59.0 -46.2 88.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 93' ' ' ASN . 14.5 mt-30 -37.13 -54.74 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 96' ' ' GLY . . . 142.3 -99.58 0.24 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.544 1.153 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 95' ' ' GLY . . . 52.2 172.81 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -97.78 -43.9 6.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 0.734 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.604 ' CH2' ' NH2' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -141.39 156.09 45.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 108.026 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 24' ' ' ILE . 1.9 tt -112.11 156.64 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -109.62 134.06 52.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 58.4 mt -131.83 117.08 18.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 86.7 t -99.13 98.35 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.488 ' CG1' ' HB3' ' A' ' 66' ' ' ASP . 41.8 t -114.64 147.97 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.461 ' N ' HG13 ' A' ' 103' ' ' VAL . . . -81.81 147.59 29.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 36.3 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.5 p -113.79 -54.8 2.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 110.37 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.4 mtm -41.63 -52.96 3.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.443 ' CE1' ' HB3' ' A' ' 69' ' ' MET . 36.4 m-85 -69.31 158.96 34.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.03 160.7 10.68 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.983 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -10.84 21.36 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 0.8 OUTLIER -110.36 -2.26 16.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.301 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -103.88 7.59 36.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.254 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 17' ' ' LYS . 2.6 pt -131.48 -45.26 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 14' ' ' ILE . . . -39.76 108.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.26 -47.41 1.09 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.13 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 14' ' ' ILE . 0.6 OUTLIER -48.76 145.98 3.44 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 0.766 . . . . 0.0 109.25 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -102.2 86.13 2.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.7 t -97.31 133.68 38.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.02 122.08 27.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 tp -81.91 107.19 14.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.4 mt -97.71 153.15 18.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -126.17 101.65 6.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.266 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.495 HG12 ' CG ' ' A' ' 59' ' ' HIS . 26.4 mt -85.3 137.92 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.1 145.5 37.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.562 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 3.3 mttp -95.87 85.51 4.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.1 OUTLIER -127.31 136.44 51.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.12 -79.95 0.04 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 27' ' ' GLU . 1.1 p -158.34 -170.04 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.79 . . . . 0.0 109.946 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.571 HD12 ' CZ3' ' A' ' 92' ' ' TRP . 48.3 tp -96.95 -61.11 1.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.465 ' OD1' ' CD2' ' A' ' 51' ' ' TYR . 2.0 t0 51.68 83.9 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.417 ' CD1' HG23 ' A' ' 50' ' ' VAL . 20.3 tp -149.46 154.33 38.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -121.21 148.03 44.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.0 mt -130.33 156.03 45.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.347 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -155.54 145.57 21.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.253 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.69 -147.57 18.65 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.479 ' O ' ' C ' ' A' ' 38' ' ' VAL . . . 63.05 -156.99 40.28 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.548 ' CG1' ' N ' ' A' ' 39' ' ' ASP . 2.1 p 34.13 -148.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.548 ' N ' ' CG1' ' A' ' 38' ' ' VAL . 6.4 m-20 -88.17 51.31 2.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 p -89.77 166.32 21.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -6.46 18.1 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.483 ' CG1' ' HG3' ' A' ' 44' ' ' LYS . 25.1 t -91.38 -58.96 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.31 29.43 27.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.488 ' HD2' ' CG1' ' A' ' 46' ' ' VAL . 0.6 OUTLIER -166.93 173.18 9.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.777 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.8 t -96.52 128.01 48.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.488 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 17.2 m -139.57 134.77 39.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.1 t -58.04 118.14 2.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.258 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.496 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 28.8 t -72.48 -49.27 34.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.986 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.99 145.72 5.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.417 HG23 ' CD1' ' A' ' 32' ' ' LEU . 51.9 t -102.68 89.68 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.465 ' CD2' ' OD1' ' A' ' 31' ' ' ASP . 15.6 m-85 -45.41 121.62 3.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.048 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -64.91 147.78 52.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.39 -40.95 2.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -59.62 -172.33 0.57 Allowed Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.573 ' HB2' ' CH2' ' A' ' 92' ' ' TRP . . . -81.14 -40.83 23.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.79 -54.56 11.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.98 -46.66 88.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -54.95 24.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.495 ' CG ' HG12 ' A' ' 24' ' ' ILE . 22.8 t-80 -41.09 -64.66 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.634 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.46 49.35 5.51 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -124.06 -63.54 0.19 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.9 p -95.9 140.43 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.776 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.5 m -116.31 -164.7 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.496 ' CD ' ' O ' ' A' ' 48' ' ' SER . 1.6 ttpp -84.68 152.35 23.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 67.85 42.54 86.05 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.497 ' HB3' ' CG2' ' A' ' 103' ' ' VAL . 0.4 OUTLIER -93.93 -174.06 3.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.423 ' C ' ' CG2' ' A' ' 103' ' ' VAL . 5.9 mt-10 -114.91 73.84 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.7 mm -72.56 148.03 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.487 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 78.3 mtp -145.16 -46.89 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -129.32 141.16 51.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.257 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 74' ' ' LYS . 73.6 mt -119.12 121.21 66.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 43.41 27.53 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.425 ' N ' ' C ' ' A' ' 71' ' ' ILE . . . 88.18 39.01 7.04 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.517 1.136 . . . . 0.0 111.038 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' ILE . 0.0 OUTLIER -131.58 95.73 3.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 30.6 mt -44.08 125.41 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' A' ' 69' ' ' MET . 27.0 m -122.88 20.56 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 62.3 p -56.61 -67.78 0.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.373 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -94.92 42.45 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.448 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.3 OUTLIER -104.56 148.51 26.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.477 HG21 ' CB ' ' A' ' 38' ' ' VAL . 3.3 p -93.74 158.73 15.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.449 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 85' ' ' GLU . 4.1 mt -39.94 -62.56 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -45.47 -64.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.448 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -39.67 -69.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -52.96 -65.96 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 84' ' ' ALA . 7.4 mt-10 -36.48 -53.4 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 110.343 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 87' ' ' ALA . . . -64.91 -58.65 5.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 86' ' ' ALA . . . -40.19 -66.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.169 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 32.7 tp -40.8 -61.05 1.02 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 92' ' ' TRP . 39.5 mm-40 -48.96 -62.61 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 89' ' ' GLN . 33.8 mttt -39.17 -45.73 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.5 -51.56 66.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.573 ' CH2' ' HB2' ' A' ' 55' ' ' ALA . 8.1 t-105 -63.86 -46.25 85.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 108.018 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 94' ' ' GLN . 3.3 m-80 -46.43 -43.6 16.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 93' ' ' ASN . 19.2 mt-30 -35.72 -52.2 0.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 97.48 62.64 0.9 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.449 1.093 . . . . 0.0 111.047 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -104.6 179.37 24.42 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -83.57 -43.86 15.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 0.777 . . . . 0.0 109.338 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -142.28 160.53 40.07 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.423 ' HB ' ' NZ ' ' A' ' 26' ' ' LYS . 5.4 tt -128.39 153.63 38.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -110.31 148.22 32.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 36.9 mt -144.06 113.02 6.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 60.1 t -87.56 104.28 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.497 ' CG2' ' HB3' ' A' ' 66' ' ' ASP . 2.2 p -144.98 141.28 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.42 ' N ' HG23 ' A' ' 103' ' ' VAL . . . -63.61 177.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 38.8 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.1 t -61.17 -18.08 56.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.374 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.1 ttm -73.18 -23.9 60.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.524 ' CE1' ' HE1' ' A' ' 69' ' ' MET . 89.2 m-85 -102.6 155.92 17.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.67 153.33 52.52 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.0 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -13.91 21.3 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.484 1.781 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.79 16.49 26.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -117.5 -54.2 2.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.2 pt -66.34 -39.81 85.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.31 115.07 0.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.38 -47.26 1.06 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -75.19 176.08 7.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -130.24 86.62 2.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.244 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.8 t -74.12 122.9 28.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 103' ' ' VAL . 11.4 mtt-85 -131.38 120.93 23.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.432 1.082 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.4 tp -87.19 129.67 34.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.4 mt -118.45 117.9 30.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.43 ' NH2' ' CD2' ' A' ' 98' ' ' TRP . 0.2 OUTLIER -85.9 124.38 32.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 51.2 mt -110.24 150.27 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -86.93 142.38 28.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.505 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 8.1 mttt -92.22 89.16 6.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.5 OUTLIER -128.08 138.78 52.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.2 -82.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.523 ' O ' ' CZ2' ' A' ' 92' ' ' TRP . 1.5 p -154.19 -164.31 1.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.765 . . . . 0.0 110.005 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.532 ' HB2' ' CD2' ' A' ' 92' ' ' TRP . 26.2 tp -104.37 -63.3 1.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 52.36 84.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.348 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.9 tp -146.07 134.36 21.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.82 139.04 39.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 70.7 mt -122.39 167.0 13.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -156.02 153.11 28.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.433 ' HA2' ' CB ' ' A' ' 40' ' ' SER . . . 74.36 -152.83 45.51 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 111.045 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . 97.36 -64.02 0.95 Allowed Glycine 0 CA--C 1.531 1.062 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.535 ' CG1' ' N ' ' A' ' 39' ' ' ASP . 4.4 p -69.33 -143.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.567 0.804 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.535 ' N ' ' CG1' ' A' ' 38' ' ' VAL . 21.2 m-20 -83.03 50.12 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.517 ' CB ' ' CD ' ' A' ' 41' ' ' PRO . 0.5 OUTLIER -92.75 179.16 1.38 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.517 ' CD ' ' CB ' ' A' ' 40' ' ' SER . 18.2 Cg_endo -74.96 -7.35 19.11 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.541 1.811 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.0 t -93.27 -51.31 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.341 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.77 -30.91 5.84 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.421 ' NZ ' ' OE1' ' A' ' 67' ' ' GLU . 14.3 mtmt -113.04 -175.02 2.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.1 t -102.34 122.43 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 23.2 m -136.66 134.99 49.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.437 HG13 ' CG2' ' A' ' 50' ' ' VAL . 52.6 t -58.42 133.0 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.7 t -89.75 -40.12 12.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -164.25 134.77 4.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.437 ' CG2' HG13 ' A' ' 47' ' ' VAL . 83.7 t -103.41 90.18 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -46.83 122.19 4.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.439 ' HA ' ' CB ' ' A' ' 57' ' ' GLU . 41.0 tt0 -56.85 -42.73 80.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.89 -13.0 60.87 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.73 161.0 45.72 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.568 ' HB2' ' CH2' ' A' ' 92' ' ' TRP . . . -75.55 -14.4 60.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.79 -45.83 70.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.439 ' CB ' ' HA ' ' A' ' 52' ' ' GLU . 4.6 tm-20 -68.48 -48.66 63.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.8 mtt-85 -41.72 -34.79 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -73.92 -63.13 1.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.604 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 107.94 -109.12 2.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.88 -89.13 0.07 OUTLIER Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.4 t -130.64 148.32 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.758 . . . . 0.0 109.35 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.4 m -86.33 -160.18 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.097 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.83 161.49 26.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.19 -17.62 58.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 42.3 p-10 -51.29 160.55 0.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.421 ' OE1' ' NZ ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -106.64 104.0 13.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.9 mm -79.51 153.07 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.248 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.524 ' HE1' ' CE1' ' A' ' 9' ' ' PHE . 71.3 mtp -142.99 -46.84 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -135.94 139.17 43.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 69.3 mt -117.51 111.6 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.445 ' ND2' ' CB ' ' A' ' 91' ' ' ALA . 2.5 m120 58.41 27.99 16.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 105.82 -46.76 1.13 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.48 133.36 35.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 0.734 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.466 HG23 ' CG2' ' A' ' 77' ' ' THR . 10.8 mt -77.73 131.01 35.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.512 ' HA ' ' CG ' ' A' ' 79' ' ' TYR . 15.2 m -123.8 23.07 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.466 ' CG2' HG23 ' A' ' 75' ' ' ILE . 36.2 p -52.17 -58.96 5.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.375 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -107.75 38.66 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.512 ' CG ' ' HA ' ' A' ' 76' ' ' VAL . 0.3 OUTLIER -91.09 150.33 21.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.477 HG22 ' CG2' ' A' ' 38' ' ' VAL . 5.1 p -94.46 159.03 15.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.354 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 85' ' ' GLU . 3.1 mt -41.33 -62.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.86 -63.93 0.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.455 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 2.3 mm-40 -40.02 -69.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.317 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -52.48 -66.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 84' ' ' ALA . 9.1 mt-10 -36.52 -57.27 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 87' ' ' ALA . . . -61.39 -62.59 1.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 86' ' ' ALA . . . -39.67 -64.81 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.471 ' HG ' ' CD2' ' A' ' 30' ' ' LEU . 5.8 tp -44.59 -60.34 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 92' ' ' TRP . 40.5 mm-40 -49.94 -56.98 8.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -39.8 -56.52 1.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.445 ' CB ' ' ND2' ' A' ' 72' ' ' ASN . . . -47.28 -45.71 24.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 55' ' ' ALA . 7.2 t-105 -67.81 -48.96 64.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 108.01 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 94' ' ' GLN . 5.2 m-80 -52.58 -45.4 66.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 93' ' ' ASN . 15.3 mt-30 -38.18 -38.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.77 97.49 1.1 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.494 1.121 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -139.2 -178.08 16.12 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.55 ' HB3' ' CD2' ' A' ' 98' ' ' TRP . 56.7 m-20 -91.14 -45.22 8.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.55 ' CD2' ' HB3' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -136.02 161.23 36.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 108.021 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.439 ' HB ' ' CE ' ' A' ' 26' ' ' LYS . 6.5 tt -136.41 142.07 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -101.8 142.27 33.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 46.3 mt -137.81 115.02 10.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 77.8 t -84.2 115.69 26.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 20' ' ' ARG . 2.6 t -139.0 158.31 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -95.72 133.41 39.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.6 p . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.968 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.1 p -153.48 -47.96 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 110.397 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -44.37 -53.22 7.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -54.14 -167.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 111.04 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.3 159.29 59.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -11.24 21.44 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.499 1.789 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -106.94 11.2 30.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.268 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -112.49 -50.94 2.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.2 pt -69.22 -40.0 79.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.86 124.21 12.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.37 -34.24 4.06 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -68.99 155.2 40.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 0.786 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.42 85.69 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.4 m -98.11 162.11 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.6 mtt180 -131.61 123.98 28.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 110.293 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.7 tp -83.54 114.61 21.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.1 mt -100.4 145.5 28.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.481 ' HD3' ' CG ' ' A' ' 98' ' ' TRP . 17.1 ttm105 -120.93 111.76 17.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 17.1 mt -96.9 148.73 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -90.69 145.39 24.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.561 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 3.1 mttt -88.79 89.74 8.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -130.83 126.85 37.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.25 -71.33 0.09 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.457 1.098 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 27' ' ' GLU . 3.6 m 177.29 147.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.777 . . . . 0.0 110.026 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.489 ' HB2' ' CE3' ' A' ' 92' ' ' TRP . 9.3 tp -64.41 -60.48 3.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 58.06 68.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.7 tp -124.95 149.43 47.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -113.68 151.98 31.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.414 ' CD2' ' HA ' ' A' ' 47' ' ' VAL . 71.7 mt -133.21 156.78 46.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.467 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 17.6 pt-20 -152.51 150.97 30.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.356 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 109.61 -146.16 16.91 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 38' ' ' VAL . . . 74.58 -166.67 54.83 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.452 ' O ' ' O ' ' A' ' 37' ' ' GLY . 2.6 m 39.98 -162.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.568 0.805 . . . . 0.0 109.348 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -83.17 50.46 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.472 ' CB ' ' CD ' ' A' ' 41' ' ' PRO . 1.0 OUTLIER -85.04 176.51 3.62 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 40' ' ' SER . 18.3 Cg_endo -74.98 -10.49 21.26 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.482 1.78 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.45 ' CG1' ' HG2' ' A' ' 44' ' ' LYS . 68.8 t -88.36 -57.27 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.241 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.9 25.34 58.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.45 ' HG2' ' CG1' ' A' ' 42' ' ' VAL . 18.3 pttt -168.11 169.16 11.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.9 t -93.46 130.59 42.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.9 m -143.27 133.59 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.414 ' HA ' ' CD2' ' A' ' 34' ' ' LEU . 73.8 t -59.09 117.55 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.517 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 8.5 t -70.62 -48.11 56.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.991 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.64 145.56 5.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.45 HG21 ' CB ' ' A' ' 56' ' ' ALA . 4.1 p -114.8 93.14 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.358 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -47.55 114.36 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.956 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -48.73 -23.25 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.265 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.03 43.87 3.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.099 . . . . 0.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -138.36 -166.15 10.56 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.548 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -90.39 -42.54 10.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 109.366 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.45 ' CB ' HG21 ' A' ' 50' ' ' VAL . . . -41.55 -56.08 2.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -58.94 -50.14 75.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.68 -47.26 20.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -59.26 -59.47 5.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.601 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.15 108.59 0.67 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.508 1.13 . . . . 0.0 110.96 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 162.58 -62.3 0.27 Allowed Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -87.3 124.52 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.444 0.732 . . . . 0.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.5 m -112.69 -165.03 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.517 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -89.54 151.68 21.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.4 44.81 57.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.83 179.14 4.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.585 0.815 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.493 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 0.0 OUTLIER -102.54 97.79 7.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.315 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.0 mm -88.75 150.39 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.408 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 6.4 mtm -146.07 -54.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -129.73 144.47 51.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 60.4 mt -120.49 109.58 26.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 59.03 25.1 13.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 0.0 109.266 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 107.44 -35.35 5.07 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.463 1.102 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.3 122.5 15.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 15.1 mt -73.12 128.08 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.552 HG11 ' CD2' ' A' ' 79' ' ' TYR . 24.7 m -123.89 21.72 4.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 51.2 p -66.0 -14.71 62.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -139.86 26.99 2.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.552 ' CD2' HG11 ' A' ' 76' ' ' VAL . 0.9 OUTLIER -93.17 151.04 20.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.967 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.445 ' CG2' HG11 ' A' ' 38' ' ' VAL . 1.5 p -96.16 158.12 15.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 5.8 mt -38.78 -63.98 0.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 83' ' ' GLU . . . -46.68 -67.29 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 82' ' ' ALA . 12.9 mt-10 -38.9 -69.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -50.58 -65.83 0.49 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 84' ' ' ALA . 5.6 mt-10 -35.9 -53.52 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.327 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.37 -51.22 61.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 88' ' ' LEU . . . -48.4 -64.25 0.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 87' ' ' ALA . 41.7 tp -40.33 -56.8 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -51.03 -55.23 18.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 93' ' ' ASN . 20.4 mttp -43.54 -65.7 0.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.429 ' HB3' ' CD1' ' A' ' 99' ' ' ILE . . . -39.89 -37.58 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.561 ' CZ2' ' HA ' ' A' ' 26' ' ' LYS . 24.2 t-105 -75.34 -50.07 17.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 107.99 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 90' ' ' LYS . 56.6 m-80 -55.36 -42.47 73.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 93' ' ' ASN . 24.8 mt-30 -35.81 -46.35 0.44 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.441 ' O ' ' NZ ' ' A' ' 26' ' ' LYS . . . 120.67 -91.65 0.49 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 95' ' ' GLY . . . 44.77 -170.57 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -98.23 -44.33 6.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 0.759 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.481 ' CG ' ' HD3' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -142.02 171.03 14.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 107.987 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.429 ' CD1' ' HB3' ' A' ' 91' ' ' ALA . 12.1 tt -118.99 160.5 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -120.56 135.9 54.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 53.7 mt -131.71 120.81 23.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 15.7 t -90.41 111.53 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 67' ' ' GLU . 3.4 t -134.01 145.37 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -87.89 154.52 20.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 38.3 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.5 p -122.97 -49.77 1.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.385 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -43.27 -54.54 4.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -72.62 140.55 48.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.1 170.66 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.005 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -36.21 2.65 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.587 1.835 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.38 12.14 10.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.315 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -108.27 -12.54 15.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.4 pt -125.34 -46.58 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.65 124.55 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.06 -26.95 20.5 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -88.1 168.22 12.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -126.73 92.02 3.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.3 p -119.05 153.14 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -136.01 178.13 7.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.331 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.8 tp -129.13 121.94 28.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.8 mt -107.18 144.03 34.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.31 117.56 30.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.441 HD12 ' CD1' ' A' ' 101' ' ' LEU . 5.5 mt -99.37 154.92 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.7 ttpp -89.98 147.45 23.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.537 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 19.4 mttt -97.12 93.06 6.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -130.02 124.39 32.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.1 -78.32 0.29 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -156.21 -172.93 4.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 110.031 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.523 ' HB2' ' CD2' ' A' ' 92' ' ' TRP . 19.1 tp -91.33 -69.36 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.64 83.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.42 ' CD1' HG23 ' A' ' 50' ' ' VAL . 11.0 tp -149.18 130.45 14.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.99 137.28 32.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.1 mt -124.7 157.87 34.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.411 ' OE1' ' CB ' ' A' ' 48' ' ' SER . 12.0 pt-20 -154.49 157.07 37.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.355 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.422 ' HA3' HG13 ' A' ' 42' ' ' VAL . . . 97.79 -135.84 12.41 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.521 ' O ' ' CG1' ' A' ' 38' ' ' VAL . . . 54.98 170.77 0.06 OUTLIER Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.521 ' CG1' ' O ' ' A' ' 37' ' ' GLY . 2.4 p 55.22 -158.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.466 ' N ' HG12 ' A' ' 38' ' ' VAL . 73.9 m-20 -70.15 56.8 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.59 1.181 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.44 ' OG ' ' O ' ' A' ' 37' ' ' GLY . 6.4 p -97.38 161.44 26.0 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.058 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.2 Cg_endo -75.0 -4.77 15.9 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.467 1.772 . . . . 0.0 110.99 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.471 ' CG2' ' HG3' ' A' ' 44' ' ' LYS . 1.5 p -88.77 -38.15 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.92 3.95 88.22 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.501 ' HD2' ' CG1' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -155.0 -171.26 3.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 0.765 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.9 t -104.31 139.12 26.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.501 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 3.6 m -146.36 133.74 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 82.1 t -61.48 127.29 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.493 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 29.1 t -81.96 -46.39 14.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.39 145.35 5.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.454 ' CG1' ' HB2' ' A' ' 56' ' ' ALA . 53.9 t -106.13 89.69 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -40.18 123.23 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -66.5 -13.65 61.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -100.3 63.45 0.62 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -167.9 -164.29 23.33 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.559 ' HB1' ' CZ2' ' A' ' 92' ' ' TRP . . . -91.29 -36.42 13.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.454 ' HB2' ' CG1' ' A' ' 50' ' ' VAL . . . -45.43 -60.05 2.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -50.45 -54.1 24.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.81 -59.11 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -47.56 -60.79 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.576 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.59 -140.46 24.35 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.128 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.15 -57.91 4.0 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 17.1 m -117.53 168.67 8.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 0.742 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 33.7 m -131.98 -173.84 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.493 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -59.85 159.66 8.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.17 -23.5 31.28 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.548 1.155 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.469 ' HB3' ' CG1' ' A' ' 103' ' ' VAL . 1.5 m-20 -40.17 146.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -88.56 93.01 9.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.463 HD11 ' CG2' ' A' ' 103' ' ' VAL . 22.1 mm -70.94 149.39 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.8 mtm -146.2 -54.83 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -125.71 130.83 52.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 83.9 mt -109.53 107.59 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 58.4 29.89 18.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 103.21 -41.71 2.06 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.454 1.097 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.71 128.1 34.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 12.5 mt -74.12 125.53 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.441 ' CA ' ' HB2' ' A' ' 79' ' ' TYR . 13.3 m -123.69 23.1 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 32.0 p -54.89 -62.91 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.42 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -101.59 39.23 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.455 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -93.27 157.95 16.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.989 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.453 HG23 ' CB ' ' A' ' 38' ' ' VAL . 3.0 p -99.17 158.57 15.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.387 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 85' ' ' GLU . 4.6 mt -40.94 -62.65 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 83' ' ' GLU . . . -47.26 -66.86 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.36 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.455 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 66.4 mt-10 -37.49 -69.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -52.31 -66.24 0.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 81' ' ' LEU . 7.7 mt-10 -37.69 -68.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.339 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.58 -61.2 2.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 83' ' ' GLU . . . -40.16 -67.53 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 18.6 tp -40.54 -50.46 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 92' ' ' TRP . 4.3 mm-40 -56.33 -57.68 11.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 89' ' ' GLN . 52.3 mttt -38.25 -52.29 1.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.457 ' O ' ' NZ ' ' A' ' 26' ' ' LYS . . . -51.51 -50.18 60.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.56 ' CZ3' HG21 ' A' ' 99' ' ' ILE . 7.7 t-105 -64.43 -48.22 76.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 107.999 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 94' ' ' GLN . 3.2 m-80 -46.42 -44.51 17.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 93' ' ' ASN . 20.3 mt-30 -37.41 -45.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 95.84 42.18 3.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.522 1.139 . . . . 0.0 110.964 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -78.45 179.87 51.64 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -84.67 -43.59 14.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 109.324 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -141.56 172.79 12.2 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.56 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 4.0 tt -141.39 133.88 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.62 136.7 35.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.441 ' CD1' HD12 ' A' ' 24' ' ' ILE . 75.7 mt -129.25 119.64 24.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 38.5 t -91.71 117.62 35.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 66' ' ' ASP . 35.9 t -139.33 147.74 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 109.247 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.44 ' N ' HG12 ' A' ' 103' ' ' VAL . . . -87.14 148.21 25.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 52.9 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.3 t -60.41 -45.75 92.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.411 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.28 -38.55 19.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -97.48 172.2 7.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.51 155.82 73.66 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -16.08 20.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.47 1.774 . . . . 0.0 110.959 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.78 15.81 28.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -117.23 -55.7 2.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.6 pt -66.43 -44.45 90.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.34 136.73 12.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.16 -42.08 2.76 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -79.48 172.54 13.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 0.739 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.39 98.42 5.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.402 ' CG2' ' N ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -132.07 158.05 43.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.409 ' HG3' ' CG2' ' A' ' 105' ' ' VAL . 6.9 mtp180 -144.73 175.25 10.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.273 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.3 tp -114.9 117.56 31.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.262 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.428 ' CD1' HG22 ' A' ' 62' ' ' VAL . 75.7 mt -103.33 136.62 42.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.436 ' O ' ' NE2' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -112.17 125.22 53.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.302 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.41 HG12 ' CB ' ' A' ' 59' ' ' HIS . 21.7 mt -105.83 153.71 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -97.9 144.76 27.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.563 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 1.9 mttt -90.08 87.83 7.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -126.92 118.19 24.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.72 -76.15 1.76 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -168.89 172.26 7.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 109.986 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.518 ' HB2' ' CD2' ' A' ' 92' ' ' TRP . 36.5 tp -79.08 -85.3 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.584 1.178 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 69.52 87.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.349 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 30.3 tp -147.13 130.67 16.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.12 130.82 38.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.2 mt -119.03 157.25 28.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -156.35 162.51 40.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.327 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.403 ' HA3' HG13 ' A' ' 42' ' ' VAL . . . 92.57 -138.06 13.99 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.532 ' O ' ' CG1' ' A' ' 38' ' ' VAL . . . 54.84 172.01 0.07 OUTLIER Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.532 ' CG1' ' O ' ' A' ' 37' ' ' GLY . 2.6 p 55.52 -158.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.47 ' N ' HG11 ' A' ' 38' ' ' VAL . 11.1 m-20 -70.04 57.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.446 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 9.6 p -100.19 161.55 23.82 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.003 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.446 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.3 Cg_endo -75.03 -10.0 20.98 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.481 ' CG2' ' HG3' ' A' ' 44' ' ' LYS . 1.5 p -82.51 -38.42 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.349 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.29 6.21 87.72 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.481 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -157.17 -171.44 3.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 0.769 . . . . 0.0 109.319 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 43.8 t -105.66 139.58 26.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.448 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 10.3 m -146.44 133.83 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 69.0 t -60.01 123.47 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 t -74.44 -48.41 27.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.994 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.3 147.19 6.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.9 t -104.36 91.4 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -45.85 115.47 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -52.49 -34.79 51.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.95 66.74 3.51 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.81 177.1 41.7 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.574 ' HB3' ' CZ2' ' A' ' 92' ' ' TRP . . . -81.2 -17.27 50.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.21 -51.7 62.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -66.42 -42.77 87.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.86 -52.84 17.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.436 ' NE2' ' O ' ' A' ' 23' ' ' ARG . 22.9 t-80 -46.48 -60.83 2.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.631 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.47 58.65 2.52 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -142.64 -61.33 0.03 OUTLIER Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.428 HG22 ' CD1' ' A' ' 22' ' ' LEU . 2.3 t -89.39 126.5 42.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.6 m -116.48 -163.83 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -82.31 133.28 35.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.02 -16.47 42.73 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.484 ' HB3' ' CG1' ' A' ' 103' ' ' VAL . 0.8 OUTLIER -53.26 141.54 23.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.426 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 13.6 mt-10 -89.29 99.84 12.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.358 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.4 mm -76.87 137.93 21.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.259 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 7.4 mtm -131.73 -44.02 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -135.96 137.89 41.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.492 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 83.5 mt -118.95 107.2 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 71' ' ' ILE . 2.0 t-20 81.21 -52.71 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -175.77 -37.73 0.05 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.15 137.74 57.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.431 0.724 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.2 mt -72.42 129.96 35.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.407 ' HA ' ' CG ' ' A' ' 79' ' ' TYR . 14.9 m -122.36 23.17 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 17.3 p -58.64 -66.05 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.401 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.32 38.19 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.524 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -94.9 160.68 14.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.159 . . . . 0.0 110.988 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.463 HG21 ' CB ' ' A' ' 38' ' ' VAL . 2.8 p -99.78 157.51 16.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 110.399 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 85' ' ' GLU . 7.4 mt -40.89 -63.57 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.96 -62.43 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.524 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 4.6 mm-40 -41.93 -69.53 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -52.6 -65.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 81' ' ' LEU . 7.6 mt-10 -35.7 -66.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.359 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 87' ' ' ALA . . . -55.65 -54.13 47.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 86' ' ' ALA . . . -40.26 -63.19 0.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.453 ' CD1' HD11 ' A' ' 99' ' ' ILE . 27.8 tp -50.14 -50.32 49.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -52.34 -58.25 7.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 91' ' ' ALA . 23.3 mttt -43.46 -65.5 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 90' ' ' LYS . . . -38.77 -59.99 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.574 ' CZ2' ' HB3' ' A' ' 55' ' ' ALA . 13.7 t-105 -54.91 -51.74 65.09 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 94' ' ' GLN . 6.7 m-80 -50.1 -52.85 31.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 93' ' ' ASN . 12.7 mt-30 -35.37 -56.1 0.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.45 ' O ' ' NZ ' ' A' ' 26' ' ' LYS . . . 142.45 -93.9 0.18 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.115 . . . . 0.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 95' ' ' GLY . . . 50.98 175.32 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -97.48 -43.56 7.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.484 ' CA ' ' HD2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -139.37 168.14 20.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 108.0 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.465 HG23 ' CZ3' ' A' ' 92' ' ' TRP . 3.8 tt -127.44 148.04 32.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -105.23 140.71 37.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.132 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 44.9 mt -140.53 115.28 9.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 43.1 t -93.5 108.46 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.484 ' CG1' ' HB3' ' A' ' 66' ' ' ASP . 46.5 t -126.02 147.55 30.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.08 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.462 ' N ' HG11 ' A' ' 103' ' ' VAL . . . -75.9 145.15 40.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.409 ' CG2' ' HG3' ' A' ' 20' ' ' ARG . 77.6 t . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 52.7 p -52.92 -36.97 60.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.4 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.469 ' HG2' ' CD1' ' A' ' 75' ' ' ILE . 2.1 tpp -55.1 -25.99 35.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.087 . . . . 0.0 110.967 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -114.16 173.91 6.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.458 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.2 OUTLIER -89.86 175.64 3.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.022 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.458 ' CD ' ' CB ' ' A' ' 10' ' ' SER . 18.4 Cg_endo -75.04 -38.54 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -84.85 2.48 42.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -102.89 -10.1 19.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 pt -126.61 -59.11 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 63.6 -128.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.95 28.81 6.87 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -80.36 153.17 28.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 0.757 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.511 ' O ' ' CB ' ' A' ' 104' ' ' ALA . 8.3 m-20 -98.93 102.39 14.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.09 111.62 36.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -119.77 136.73 54.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.317 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.3 tp -100.3 128.55 46.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.0 mt -125.5 149.19 48.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.42 118.05 33.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.449 ' CD1' HD11 ' A' ' 101' ' ' LEU . 2.7 mt -98.91 155.14 3.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -90.81 142.97 27.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.533 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 4.9 mttm -92.66 70.72 4.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' SER . 4.5 tp10 -118.23 143.25 46.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.32 -76.31 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' GLU . 2.3 m -173.07 -174.16 1.03 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 0.0 110.028 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.511 ' HB2' ' CD2' ' A' ' 92' ' ' TRP . 31.4 tp -92.96 -82.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 66.58 88.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.425 HD23 ' CD2' ' A' ' 88' ' ' LEU . 5.8 tp -149.14 132.73 16.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.76 137.51 33.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.3 mt -123.97 158.12 32.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -155.79 158.28 37.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.402 ' HA3' HG13 ' A' ' 42' ' ' VAL . . . 97.08 -139.35 14.44 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.452 1.095 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.513 ' O ' ' CG1' ' A' ' 38' ' ' VAL . . . 57.94 173.75 0.37 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.513 ' CG1' ' O ' ' A' ' 37' ' ' GLY . 2.6 p 54.21 -157.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.769 . . . . 0.0 109.251 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.477 ' N ' HG12 ' A' ' 38' ' ' VAL . 6.9 t70 -70.31 57.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.447 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 19.6 p -101.51 161.33 23.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.175 . . . . 0.0 110.022 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.447 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.3 Cg_endo -75.0 -18.63 18.58 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.474 ' CG2' ' HG3' ' A' ' 44' ' ' LYS . 1.7 p -72.62 -39.29 60.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.89 15.24 73.79 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.474 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -162.67 -179.93 7.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 0.743 . . . . 0.0 109.275 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.4 t -100.33 136.29 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.9 m -144.88 134.14 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.6 t -59.39 116.95 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.485 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 47.2 t -70.56 -46.94 62.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.034 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.63 143.53 4.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 92.8 t -101.15 91.29 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.166 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -49.66 123.24 7.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.425 ' HA ' ' CG ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -66.06 160.17 24.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.296 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.06 -49.13 3.01 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.55 -176.89 0.21 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.564 ' HB2' ' CH2' ' A' ' 92' ' ' TRP . . . -75.74 -44.47 41.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.38 -55.74 6.9 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.425 ' CG ' ' HA ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -56.68 -51.85 67.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -51.46 -48.62 62.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 110.249 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -54.55 -64.42 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.648 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.76 -151.15 21.07 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.554 1.159 . . . . 0.0 110.968 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.57 -63.59 0.63 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.5 p -88.72 130.2 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.5 m -120.29 -166.15 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.485 ' CD ' ' O ' ' A' ' 48' ' ' SER . 3.2 ttpp -79.69 142.52 35.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 104.59 -11.53 50.3 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.462 ' HB3' ' CG2' ' A' ' 103' ' ' VAL . 0.5 OUTLIER -53.3 -178.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.762 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -131.12 70.75 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.3 mm -47.37 142.86 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.5 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 88.0 mtp -131.66 -52.79 1.0 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.462 ' CB ' ' HB ' ' A' ' 102' ' ' VAL . . . -129.37 150.1 50.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 27.2 mt -131.64 112.4 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 100' ' ' ASP . 2.8 t-20 59.75 19.71 8.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 111.19 -40.22 2.62 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.137 . . . . 0.0 110.97 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.81 137.24 45.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.755 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.469 ' CD1' ' HG2' ' A' ' 8' ' ' MET . 30.6 mm -85.24 130.56 35.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 69' ' ' MET . 13.6 m -122.98 22.84 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.431 ' CG2' HG22 ' A' ' 75' ' ' ILE . 38.0 p -54.36 -73.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -94.33 42.15 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.467 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.3 OUTLIER -97.86 150.38 21.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.105 . . . . 0.0 111.025 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 81' ' ' LEU . 2.3 p -91.88 157.27 16.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.431 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 85' ' ' GLU . 6.0 mt -39.29 -63.38 0.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.6 -64.34 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.467 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 30.8 mt-10 -39.31 -69.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -53.08 -66.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 84' ' ' ALA . 8.0 mt-10 -35.91 -57.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.303 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.53 -58.67 7.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.84 -59.0 1.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.425 ' CD2' HD23 ' A' ' 32' ' ' LEU . 8.0 tp -48.27 -58.37 4.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 90' ' ' LYS . 11.4 mm100 -52.08 -61.27 2.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 89' ' ' GLN . 9.7 mttp -37.86 -49.65 1.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -53.39 -56.27 18.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.564 ' CH2' ' HB2' ' A' ' 55' ' ' ALA . 8.4 t-105 -59.44 -47.04 87.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 108.035 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 94' ' ' GLN . 3.0 m-80 -46.63 -46.97 20.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 93' ' ' ASN . 19.8 mt-30 -36.41 -58.59 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 104.44 105.74 3.04 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.449 ' CA ' ' HD3' ' A' ' 26' ' ' LYS . . . -146.66 -166.78 12.46 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -97.22 -43.25 7.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -141.34 156.34 45.85 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.564 HG22 ' CZ3' ' A' ' 92' ' ' TRP . 11.0 tt -131.4 138.15 53.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 72' ' ' ASN . 1.1 m-20 -98.02 119.99 37.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.449 HD11 ' CD1' ' A' ' 24' ' ' ILE . 66.7 mt -117.82 113.9 22.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.365 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.462 ' HB ' ' CB ' ' A' ' 70' ' ' ALA . 36.8 t -83.82 118.41 31.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 66' ' ' ASP . 0.2 OUTLIER -150.28 140.92 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 18' ' ' ASP . . . -78.94 149.94 32.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.475 ' CG1' ' HB3' ' A' ' 18' ' ' ASP . 11.9 p . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.1 t -62.83 -31.78 72.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.401 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.7 ttm -63.14 -22.18 66.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.469 ' CE2' HG12 ' A' ' 19' ' ' VAL . 91.2 m-85 -105.88 139.97 39.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.77 162.13 12.99 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -26.16 11.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.551 1.817 . . . . 0.0 111.042 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.66 19.34 7.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 -116.95 -60.31 1.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 110.262 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.499 ' O ' ' CD ' ' A' ' 17' ' ' LYS . 2.9 pt -63.33 -56.33 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 40.09 74.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 17' ' ' LYS . . . 87.05 -42.53 3.16 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.513 1.133 . . . . 0.0 110.951 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.499 ' CD ' ' O ' ' A' ' 14' ' ' ILE . 4.8 mttt -39.7 107.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.747 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.77 102.04 8.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.616 ' CG1' ' CG1' ' A' ' 102' ' ' VAL . 22.4 t -72.68 131.67 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.431 ' HG3' ' CG2' ' A' ' 105' ' ' VAL . 3.9 mtp180 -117.82 123.7 46.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.4 tp -95.54 111.48 23.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.564 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 1.6 mt -103.51 159.48 15.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -126.81 117.28 22.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.449 HD13 ' CD1' ' A' ' 101' ' ' LEU . 3.3 mt -108.98 140.34 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.422 ' N ' HG23 ' A' ' 24' ' ' ILE . 17.9 ttpt -83.77 148.94 26.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.583 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 0.6 OUTLIER -95.12 77.17 3.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.404 ' HB3' ' CZ ' ' A' ' 58' ' ' ARG . 1.1 tt0 -135.65 118.32 16.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.22 60.42 4.13 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 45.04 -169.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.537 ' HB2' ' CD2' ' A' ' 92' ' ' TRP . 58.9 tp -106.84 -64.44 1.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 62.46 68.51 0.66 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.472 HD12 ' CB ' ' A' ' 56' ' ' ALA . 5.8 tp -132.9 133.07 42.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.03 146.79 23.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.3 mt -132.02 157.98 42.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.467 ' CG ' ' HB2' ' A' ' 48' ' ' SER . 25.6 pt-20 -155.97 161.98 40.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 0.0 110.336 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.493 ' HA3' HG12 ' A' ' 42' ' ' VAL . . . 93.59 -144.57 17.17 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.696 ' N ' ' HG ' ' A' ' 40' ' ' SER . . . 66.85 -170.97 31.79 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.558 ' CG1' ' N ' ' A' ' 39' ' ' ASP . 1.8 p 36.68 -149.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 0.741 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.558 ' N ' ' CG1' ' A' ' 38' ' ' VAL . 56.3 m-20 -77.94 54.6 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.696 ' HG ' ' N ' ' A' ' 37' ' ' GLY . 78.4 p -90.17 160.36 40.29 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.982 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.2 Cg_endo -74.96 -3.25 13.64 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.538 1.809 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.493 HG12 ' HA3' ' A' ' 36' ' ' GLY . 2.4 p -92.41 -40.81 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.96 11.46 84.48 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.447 1.092 . . . . 0.0 110.991 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.462 ' HE3' ' CG ' ' A' ' 67' ' ' GLU . 23.7 pttt -159.58 177.34 11.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 0.793 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.9 t -97.45 133.45 39.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.6 m -146.29 134.49 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.3 t -58.36 128.06 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.526 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 44.0 t -82.09 -45.6 15.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.43 146.14 5.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.449 ' CG2' ' HB1' ' A' ' 56' ' ' ALA . 1.5 p -114.13 90.11 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -45.24 116.38 1.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 111.049 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -43.09 -39.62 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.47 54.01 4.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -146.94 -167.47 13.05 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.515 ' CB ' ' CH2' ' A' ' 92' ' ' TRP . . . -91.54 -47.32 7.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.472 ' CB ' HD12 ' A' ' 32' ' ' LEU . . . -41.92 -47.71 4.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.406 ' CD ' ' C ' ' A' ' 57' ' ' GLU . 6.4 tm-20 -52.57 -54.59 30.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.333 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.404 ' CZ ' ' HB3' ' A' ' 27' ' ' GLU . 51.3 mtm180 -42.63 -54.91 3.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 22' ' ' LEU . 25.2 t-80 -40.36 -66.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.599 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' GLY . . . 85.61 -43.85 3.29 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 60' ' ' GLY . . . -37.03 -47.62 1.35 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.404 ' CG2' HD11 ' A' ' 22' ' ' LEU . 2.4 m -120.95 165.08 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.412 HG23 ' N ' ' A' ' 64' ' ' LYS . 11.2 m -144.29 -152.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.526 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -86.64 142.23 28.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.32 -25.81 22.19 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.108 . . . . 0.0 110.949 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.478 ' HB3' ' CG1' ' A' ' 103' ' ' VAL . 44.3 m-20 -51.67 -177.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.763 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.462 ' CG ' ' HE3' ' A' ' 44' ' ' LYS . 0.6 OUTLIER -120.55 106.25 11.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.4 mm -81.26 141.47 15.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.473 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 25.1 mtm -129.23 -54.55 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -122.81 153.26 39.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.43 HG21 ' CD1' ' A' ' 88' ' ' LEU . 42.1 mt -132.7 107.24 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 100' ' ' ASP . 3.8 t-20 63.85 16.3 9.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 113.34 -37.06 3.76 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.2 122.46 16.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 0.757 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.435 HG23 ' CG2' ' A' ' 77' ' ' THR . 34.5 mt -67.44 133.01 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.509 ' HA ' ' CG ' ' A' ' 79' ' ' TYR . 18.8 m -123.11 23.15 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.251 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.435 ' CG2' HG23 ' A' ' 75' ' ' ILE . 25.5 p -52.9 -66.2 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.43 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.59 39.44 1.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.509 ' CG ' ' HA ' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -94.84 137.96 33.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.446 HG23 ' CB ' ' A' ' 38' ' ' VAL . 6.1 p -80.41 157.04 26.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.425 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.433 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 4.1 mt -40.75 -63.21 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.36 -49.79 42.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.39 -69.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -56.87 -62.73 1.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 84' ' ' ALA . 5.0 mt-10 -38.11 -49.36 1.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.49 -61.37 1.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.78 -58.17 1.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.43 ' CD1' HG21 ' A' ' 71' ' ' ILE . 49.3 tp -50.85 -60.09 3.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -50.4 -57.43 7.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.271 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 91' ' ' ALA . 0.7 OUTLIER -40.53 -65.21 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 90' ' ' LYS . . . -38.63 -58.49 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.583 ' CZ2' ' HA ' ' A' ' 26' ' ' LYS . 7.0 t-105 -56.33 -52.77 63.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 107.976 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 94' ' ' GLN . 16.1 m-80 -49.81 -52.45 32.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 93' ' ' ASN . 13.0 mt-30 -36.49 -55.05 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.342 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.418 ' O ' ' HD3' ' A' ' 26' ' ' LYS . . . 142.8 -94.28 0.18 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 95' ' ' GLY . . . 51.99 172.89 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -97.58 -43.63 7.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.428 ' C ' ' HD2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -139.91 175.73 9.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 107.996 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.552 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 3.7 tt -139.7 143.88 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 72' ' ' ASN . 23.3 m-20 -103.58 113.09 26.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.449 ' CD1' HD13 ' A' ' 24' ' ' ILE . 60.1 mt -109.06 112.24 24.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.616 ' CG1' ' CG1' ' A' ' 19' ' ' VAL . 42.1 t -87.35 108.53 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 66' ' ' ASP . 42.6 t -122.1 146.28 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.38 161.04 21.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.431 ' CG2' ' HG3' ' A' ' 20' ' ' ARG . 62.1 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 63.0 p -50.8 -43.66 58.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 110.419 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.409 ' SD ' ' O ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -47.37 -32.64 5.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -109.08 176.72 4.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.72 163.62 53.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.032 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -12.61 21.45 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.47 1.773 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.82 8.29 30.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.263 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -108.45 -40.16 5.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 17' ' ' LYS . 2.0 pt -80.97 -36.47 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.17 124.34 1.85 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.89 -43.74 3.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.449 1.093 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 14' ' ' ILE . 1.1 mttm -58.47 153.38 16.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 0.733 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -129.87 91.33 3.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.76 156.22 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.6 167.68 20.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.41 HD12 ' N ' ' A' ' 22' ' ' LEU . 12.5 tp -110.49 122.99 49.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.459 ' CD1' HG11 ' A' ' 62' ' ' VAL . 33.4 mt -116.24 121.2 41.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.76 122.97 33.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.468 ' CD1' HD12 ' A' ' 101' ' ' LEU . 41.0 mt -107.32 125.31 63.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.241 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -66.89 138.41 57.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.569 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 2.9 mttt -86.78 83.99 7.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -135.36 121.53 20.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.09 78.65 0.13 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.132 . . . . 0.0 111.005 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.6 ' O ' ' CZ2' ' A' ' 92' ' ' TRP . 0.2 OUTLIER 41.52 -161.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 0.736 . . . . 0.0 109.987 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.553 HD11 ' CZ3' ' A' ' 92' ' ' TRP . 47.6 tp -108.22 -75.19 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 75.26 69.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.443 HD13 ' CB ' ' A' ' 56' ' ' ALA . 15.4 tp -136.02 132.45 36.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.36 141.56 34.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.5 mt -128.45 160.78 31.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.466 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 10.3 pt-20 -153.24 171.59 18.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 97.03 -135.29 12.14 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 38' ' ' VAL . . . 48.55 -170.19 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.46 ' O ' ' O ' ' A' ' 37' ' ' GLY . 1.1 m 40.51 -163.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.269 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -76.37 53.3 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.453 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 9.5 p -93.38 165.2 18.8 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.4 Cg_endo -74.96 -4.79 15.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.532 1.807 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.499 ' CG1' ' HG3' ' A' ' 44' ' ' LYS . 97.1 t -88.66 -47.64 15.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.45 27.91 62.62 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.499 ' HG3' ' CG1' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -177.54 167.62 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.758 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.8 t -91.48 139.07 18.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.479 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 23.1 m -146.25 -166.16 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.4 t -108.89 112.25 39.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.464 1.103 . . . . 0.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.508 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 15.1 t -71.92 -46.24 58.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.51 150.36 7.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 24.7 t -110.96 89.75 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -46.83 122.52 4.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -64.58 160.27 19.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.09 -43.89 3.29 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.138 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.64 -168.98 0.03 OUTLIER Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.487 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -82.57 -47.39 12.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.443 ' CB ' HD13 ' A' ' 32' ' ' LEU . . . -44.47 -57.09 3.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -49.83 -54.22 20.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.82 -54.78 7.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -46.43 -65.7 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.612 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 83.13 -149.18 26.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.553 1.158 . . . . 0.0 110.966 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.25 -59.2 4.0 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.459 HG11 ' CD1' ' A' ' 22' ' ' LEU . 4.6 m -115.8 158.84 16.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.41 ' O ' ' CG ' ' A' ' 66' ' ' ASP . 19.7 m -137.68 176.17 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.508 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -40.37 147.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.34 -39.3 2.95 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.483 ' HB3' ' CG1' ' A' ' 103' ' ' VAL . 3.6 m-20 -42.05 157.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 109.242 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -109.15 112.88 25.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.0 mm -83.03 135.42 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.501 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 80.6 mtp -120.81 -50.94 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -134.67 139.67 45.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 33.7 mt -115.23 117.76 56.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 100' ' ' ASP . 1.1 t-20 51.53 22.34 1.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.409 ' O ' ' SD ' ' A' ' 8' ' ' MET . . . 114.44 -44.83 1.41 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 111.041 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.7 153.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.566 ' O ' ' CE1' ' A' ' 79' ' ' TYR . 12.1 mm -100.45 118.15 46.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.53 ' HA ' ' CG ' ' A' ' 79' ' ' TYR . 11.4 m -123.64 22.73 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 34.2 p -60.05 -34.1 72.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.366 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -133.34 37.13 3.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.352 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.566 ' CE1' ' O ' ' A' ' 75' ' ' ILE . 0.8 OUTLIER -89.0 167.62 13.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.944 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.2 p -107.11 157.01 18.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.392 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 85' ' ' GLU . 6.7 mt -41.87 -63.08 0.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.48 -64.04 0.89 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -39.93 -69.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -52.8 -65.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 81' ' ' LEU . 5.6 mt-10 -37.41 -40.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 110.353 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.16 -57.79 3.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.09 -61.42 1.77 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.454 ' HG ' ' CD2' ' A' ' 30' ' ' LEU . 32.3 tp -40.96 -50.01 3.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 92' ' ' TRP . 9.9 mm100 -59.16 -64.49 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 89' ' ' GLN . 61.8 mttt -38.32 -50.67 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.406 ' HB3' ' CD1' ' A' ' 99' ' ' ILE . . . -51.95 -50.63 60.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.6 ' CZ2' ' O ' ' A' ' 29' ' ' SER . 15.1 t-105 -64.63 -50.39 67.33 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 94' ' ' GLN . 13.8 m-80 -43.73 -43.76 6.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 93' ' ' ASN . 13.4 mt-30 -36.53 -53.51 0.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.256 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 94.92 104.87 1.95 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.439 1.087 . . . . 0.0 111.043 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.477 ' CA ' ' HD3' ' A' ' 26' ' ' LYS . . . -148.33 -164.67 11.55 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.422 ' HB3' ' CD1' ' A' ' 98' ' ' TRP . 1.3 t0 -97.49 -43.86 7.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.422 ' CD1' ' HB3' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -141.67 146.94 36.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 107.99 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.561 HG23 ' CZ3' ' A' ' 92' ' ' TRP . 12.2 tt -119.31 138.12 51.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 72' ' ' ASN . 1.1 m-20 -92.06 130.69 37.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.468 HD12 ' CD1' ' A' ' 24' ' ' ILE . 22.1 mt -134.54 112.68 11.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 21.9 t -80.75 124.68 38.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 66' ' ' ASP . 8.9 t -136.88 141.89 39.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -87.2 150.67 23.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 54.0 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.1 p -98.94 -45.79 5.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.361 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.96 -51.65 22.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -73.77 173.34 9.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.24 159.48 56.44 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.982 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -16.31 20.39 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.477 1.777 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -103.52 15.37 29.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -115.92 -52.89 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.2 pt -67.28 -41.29 86.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.29 126.51 11.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.05 -48.41 1.14 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.454 1.096 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -72.98 168.39 19.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 0.792 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -115.68 86.1 2.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 39.4 t -82.87 123.73 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.9 mtt180 -126.41 123.64 38.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.1 tp -92.86 116.88 29.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.443 ' CD1' HG22 ' A' ' 62' ' ' VAL . 15.3 mt -104.9 148.35 26.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.574 ' NH1' ' CD2' ' A' ' 98' ' ' TRP . 2.3 ttm-85 -116.8 109.28 16.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.256 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.502 ' O ' ' CB ' ' A' ' 98' ' ' TRP . 69.4 mt -96.82 153.17 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -93.04 138.96 31.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.569 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 29.4 mttt -88.09 80.62 7.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.164 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 29' ' ' SER . 7.8 tp10 -121.53 137.6 54.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.96 -79.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.563 ' O ' ' CZ2' ' A' ' 92' ' ' TRP . 1.2 p -156.63 -170.77 3.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 0.762 . . . . 0.0 110.02 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.507 ' HB2' ' CD2' ' A' ' 92' ' ' TRP . 35.5 tp -96.78 -61.45 1.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 53.09 84.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.4 tp -149.25 131.59 15.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.25 137.5 33.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.0 mt -127.52 154.97 44.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.469 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 13.0 pt-20 -156.5 155.43 31.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.517 ' HA3' HG13 ' A' ' 42' ' ' VAL . . . 105.4 -152.65 17.24 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.469 1.105 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . 65.72 -168.8 31.28 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.557 ' CG1' ' N ' ' A' ' 39' ' ' ASP . 1.7 p 36.25 -148.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.557 ' N ' ' CG1' ' A' ' 38' ' ' VAL . 9.1 t0 -78.47 52.54 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 96.1 p -92.2 158.87 38.48 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.3 Cg_endo -74.94 3.41 5.61 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.517 HG13 ' HA3' ' A' ' 36' ' ' GLY . 1.4 p -103.48 -45.15 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.43 9.61 81.38 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.477 ' HD2' ' CG2' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -157.84 167.66 29.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.747 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.6 t -85.35 137.22 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 15.5 m -146.99 134.55 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 72.2 t -58.34 119.92 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.511 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 3.3 t -75.96 -46.4 29.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.025 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.92 145.58 5.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.3 t -101.11 89.85 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -40.24 135.55 1.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -83.49 138.52 33.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.34 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 103.96 -39.35 2.84 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -57.07 -170.53 0.15 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.571 ' HB1' ' CH2' ' A' ' 92' ' ' TRP . . . -86.07 -31.42 21.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.18 -55.52 32.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -58.41 -46.48 86.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.349 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.66 -51.38 12.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.45 ' CG ' HG12 ' A' ' 24' ' ' ILE . 30.3 t-80 -52.55 -65.58 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.558 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.425 ' O ' ' ND1' ' A' ' 59' ' ' HIS . . . 78.28 -169.9 54.63 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.122 . . . . 0.0 111.045 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.23 -30.12 8.05 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.443 HG22 ' CD1' ' A' ' 22' ' ' LEU . 2.0 t -131.57 157.8 43.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.4 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 26.8 m -125.23 -166.02 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.511 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.1 OUTLIER -77.88 167.75 21.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.65 -0.4 89.21 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.484 ' HB3' ' CG2' ' A' ' 103' ' ' VAL . 0.5 OUTLIER -57.58 154.41 11.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.439 ' C ' ' CG2' ' A' ' 103' ' ' VAL . 3.4 mt-10 -93.1 73.08 4.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.425 ' N ' HG23 ' A' ' 103' ' ' VAL . 15.4 mm -58.09 142.66 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 25.1 mtm -142.12 -45.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -136.44 137.05 40.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.51 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 29.6 mt -116.6 108.56 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 71' ' ' ILE . 1.7 t-20 82.48 -52.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -176.55 -37.31 0.05 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.2 tptt -64.88 141.29 58.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 0.752 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.46 HG22 ' CG2' ' A' ' 77' ' ' THR . 26.5 mt -78.68 132.12 32.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.6 m -122.63 22.95 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.46 ' CG2' HG22 ' A' ' 75' ' ' ILE . 40.8 p -57.56 -64.93 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.407 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -97.35 40.46 1.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.563 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.3 OUTLIER -100.11 152.01 20.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 81' ' ' LEU . 6.6 p -90.18 153.53 20.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.416 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.469 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 5.1 mt -39.9 -64.72 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -45.82 -55.09 7.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.563 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -45.78 -69.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -54.94 -63.08 1.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 84' ' ' ALA . 22.5 mt-10 -36.49 -47.25 0.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 110.326 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.09 -61.2 1.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.2 -51.9 2.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.6 tp -56.21 -62.93 1.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' TRP . 13.8 mm100 -48.32 -50.61 29.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 89' ' ' GLN . 23.6 mttt -39.73 -58.74 1.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.444 ' O ' ' NZ ' ' A' ' 26' ' ' LYS . . . -46.29 -44.2 16.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.571 ' CH2' ' HB1' ' A' ' 55' ' ' ALA . 5.3 t-105 -68.65 -48.88 62.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 108.021 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 94' ' ' GLN . 5.3 m-80 -53.46 -45.53 69.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 93' ' ' ASN . 14.0 mt-30 -36.46 -43.42 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.275 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 95.0 66.48 1.0 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.443 1.089 . . . . 0.0 111.034 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -106.49 -166.18 22.73 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -97.83 -44.87 6.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.766 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.574 ' CD2' ' NH1' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -142.6 175.48 9.77 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.567 HG23 ' CZ3' ' A' ' 92' ' ' TRP . 5.5 tt -140.77 140.93 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -100.23 143.02 30.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.438 ' CD1' HD12 ' A' ' 24' ' ' ILE . 75.1 mt -128.35 126.04 39.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 38.9 t -103.12 99.4 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.484 ' CG2' ' HB3' ' A' ' 66' ' ' ASP . 3.5 p -146.27 147.27 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.411 ' N ' HG22 ' A' ' 103' ' ' VAL . . . -69.8 143.88 52.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.344 -0.614 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.8 p -105.51 -38.87 6.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.407 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.404 ' N ' ' SD ' ' A' ' 8' ' ' MET . 3.2 mpp? -89.51 43.96 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 111.052 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -146.53 164.47 32.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.79 161.18 78.8 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.027 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -27.75 9.86 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.9 16.8 13.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -116.87 -53.63 2.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.3 pt -68.95 -41.26 81.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.31 124.45 6.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.27 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.8 -41.05 3.04 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -62.03 161.16 11.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 109.299 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.54 86.07 2.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 92.6 t -95.86 131.01 43.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -132.37 132.3 42.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.8 tp -90.77 119.72 31.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.1 mt -113.29 144.56 42.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.5 ttp-105 -120.39 115.59 23.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.493 HG12 ' CG ' ' A' ' 59' ' ' HIS . 53.7 mt -98.25 155.04 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -89.79 144.83 25.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.253 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.528 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 16.5 mttt -96.33 76.9 2.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -121.84 133.08 54.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.82 -76.17 0.71 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 2.6 m -169.92 -175.07 1.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.771 . . . . 0.0 110.002 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.504 ' HB2' ' CD2' ' A' ' 92' ' ' TRP . 27.1 tp -91.65 -85.98 0.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 72.21 87.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.1 tp -149.62 130.19 13.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.33 151.73 19.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.2 mt -132.99 158.35 42.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -156.34 142.27 18.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.513 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . 108.42 -138.76 14.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.656 ' N ' ' HG ' ' A' ' 40' ' ' SER . . . 60.75 -165.51 14.31 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.559 ' CG1' ' N ' ' A' ' 39' ' ' ASP . 2.9 p 33.41 -145.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.775 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.559 ' N ' ' CG1' ' A' ' 38' ' ' VAL . 4.7 p-10 -80.39 52.16 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.656 ' HG ' ' N ' ' A' ' 37' ' ' GLY . 96.3 p -88.07 160.33 46.39 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.588 1.18 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.446 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.4 Cg_endo -74.96 -2.61 12.76 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.529 1.805 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.513 HG11 ' HA3' ' A' ' 36' ' ' GLY . 3.0 p -94.39 -41.2 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.42 -1.99 86.18 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.521 ' HD2' ' CG1' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -146.29 162.26 38.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 0.782 . . . . 0.0 109.237 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.8 t -79.45 139.53 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.521 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 17.0 m -146.94 134.46 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.18 128.78 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.6 t -80.22 -47.56 14.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.966 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.86 151.79 7.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.9 t -108.97 89.74 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 -41.37 120.93 1.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.49 -21.2 66.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -98.01 55.65 1.14 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.59 -165.07 13.83 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.561 ' HB1' ' CH2' ' A' ' 92' ' ' TRP . . . -90.58 -32.77 16.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.55 -57.59 7.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' ARG . 8.5 tm-20 -54.01 -52.68 60.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -38.16 -58.49 0.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.493 ' CG ' HG12 ' A' ' 24' ' ' ILE . 41.7 t-80 -50.29 -64.11 0.91 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 0.0 109.595 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.75 68.35 1.48 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.547 1.154 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -139.81 -59.18 0.04 OUTLIER Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.4 p -90.81 124.29 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.415 HG21 ' N ' ' A' ' 64' ' ' LYS . 2.8 m -103.88 -165.17 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.415 ' N ' HG21 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -84.87 149.05 25.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.52 45.83 82.0 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.71 -172.25 3.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -115.84 56.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.334 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.8 mm -54.32 139.44 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.403 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 22.8 mtm -134.82 -51.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -127.28 152.66 47.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 26.5 mt -126.96 115.36 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 49.85 23.89 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 115.31 -56.73 0.5 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.428 1.08 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.1 126.89 11.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.4 ' CG2' ' OG1' ' A' ' 77' ' ' THR . 25.9 mt -73.15 133.8 31.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.411 ' HA ' ' CG ' ' A' ' 79' ' ' TYR . 16.0 m -122.64 23.13 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.4 ' OG1' ' CG2' ' A' ' 75' ' ' ILE . 9.1 p -54.01 -79.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.392 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -90.59 41.54 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.411 ' CG ' ' HA ' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -98.59 156.05 16.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 81' ' ' LEU . 11.3 p -96.66 154.23 17.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.331 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 85' ' ' GLU . 2.0 mt -38.55 -65.99 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 83' ' ' GLU . . . -41.28 -66.87 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -37.2 -70.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.334 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -53.41 -58.76 5.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 81' ' ' LEU . 11.7 mm-40 -36.79 -57.96 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.254 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.32 -56.08 11.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.26 -49.61 2.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 38.4 tp -63.92 -57.06 10.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 92' ' ' TRP . 4.5 mm-40 -49.92 -60.0 3.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 89' ' ' GLN . 25.6 mttt -37.85 -51.83 1.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.411 ' O ' ' NZ ' ' A' ' 26' ' ' LYS . . . -51.74 -50.78 59.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.564 ' CZ3' HG21 ' A' ' 99' ' ' ILE . 8.1 t-105 -64.4 -48.94 73.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 108.014 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 94' ' ' GLN . 3.0 m-80 -44.28 -42.62 6.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 93' ' ' ASN . 26.5 mt-30 -38.23 -43.64 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.68 29.75 10.47 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -66.8 -174.63 6.42 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.422 ' HB2' ' CE2' ' A' ' 98' ' ' TRP . 1.3 m-20 -88.44 -43.11 11.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 0.749 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.422 ' CE2' ' HB2' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -141.15 174.92 10.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 107.975 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.564 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 5.8 tt -142.23 137.89 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -97.41 138.84 34.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.469 HD13 ' CD1' ' A' ' 24' ' ' ILE . 49.8 mt -128.12 128.72 45.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 59.1 t -101.46 100.69 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.66 136.09 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.1 -178.42 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 76.8 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.2 p -47.13 -45.27 22.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.384 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.7 ttm -54.31 -27.16 33.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 111.041 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.531 ' CE1' ' HE2' ' A' ' 69' ' ' MET . 71.7 m-85 -108.16 141.1 40.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.14 157.94 5.59 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 110.001 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -17.36 19.63 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -101.04 16.75 24.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.103 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -116.74 -53.96 2.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.5 pt -66.95 -40.33 85.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.27 119.92 2.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.54 -43.0 3.08 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -57.57 173.19 0.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 0.758 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -131.61 88.62 2.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.1 t -104.28 147.18 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.0 mtt180 -144.27 121.85 11.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 27.2 tp -102.81 129.45 49.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.283 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 mt -123.15 152.66 40.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 109.32 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.04 128.81 55.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.512 HG12 ' CG ' ' A' ' 59' ' ' HIS . 51.6 mt -120.33 149.75 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.88 148.2 32.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.564 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 20.6 mttt -94.72 77.82 3.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -130.85 155.28 46.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 40.54 58.65 2.48 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.447 ' C ' ' NE1' ' A' ' 92' ' ' TRP . 0.6 OUTLIER 48.21 -167.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.748 . . . . 0.0 109.992 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.521 ' HB2' ' CD2' ' A' ' 92' ' ' TRP . 43.8 tp -97.01 -69.93 0.74 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 70.55 61.54 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.467 ' CD1' HG23 ' A' ' 50' ' ' VAL . 29.8 tp -134.41 146.36 49.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -114.4 154.42 28.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.7 mt -132.7 155.18 49.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.449 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 12.2 pt-20 -156.35 144.92 20.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.06 -143.95 18.28 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.486 1.117 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 38' ' ' VAL . . . 52.62 -166.39 1.22 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.533 ' CG1' ' N ' ' A' ' 39' ' ' ASP . 1.3 p 36.31 -151.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 0.79 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.533 ' N ' ' CG1' ' A' ' 38' ' ' VAL . 7.4 p-10 -80.74 51.9 1.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.3 p -97.62 161.12 26.9 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -4.72 15.82 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.463 ' CG1' ' HG2' ' A' ' 44' ' ' LYS . 78.2 t -90.19 -46.37 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.55 23.37 77.11 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.463 ' HG2' ' CG1' ' A' ' 42' ' ' VAL . 25.9 pttt -168.76 169.6 9.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 0.785 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.1 t -91.46 128.95 42.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 28.0 m -144.66 134.58 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.441 HG11 ' CG2' ' A' ' 50' ' ' VAL . 38.4 t -58.48 114.81 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.477 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 3.4 t -64.35 -47.71 78.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.024 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.38 146.68 6.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.467 HG23 ' CD1' ' A' ' 32' ' ' LEU . 55.9 t -108.99 93.31 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -52.03 135.62 30.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.07 -11.8 60.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.303 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -100.47 56.45 0.8 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.575 1.172 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -161.5 -170.19 25.84 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.557 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . . . -86.05 -36.41 19.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.33 -59.97 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 58' ' ' ARG . 12.4 tm-20 -53.68 -52.17 60.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -38.5 -46.31 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.258 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.512 ' CG ' HG12 ' A' ' 24' ' ' ILE . 53.5 t-80 -71.47 -64.98 0.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.572 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.75 -109.36 3.83 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.543 1.152 . . . . 0.0 110.96 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 55.01 -91.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.7 p -87.56 165.09 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.755 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 29.7 m -132.54 -166.15 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.477 ' CD ' ' O ' ' A' ' 48' ' ' SER . 1.4 ttpt -66.74 159.2 28.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.84 -12.09 58.08 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.491 ' HB2' ' CG2' ' A' ' 103' ' ' VAL . 2.3 p-10 -54.51 167.0 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 0.763 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.423 ' CG ' ' HE3' ' A' ' 44' ' ' LYS . 23.2 mt-10 -118.29 90.1 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -74.53 137.19 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.531 ' HE2' ' CE1' ' A' ' 9' ' ' PHE . 65.0 mtp -110.03 -40.44 4.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.577 ' CB ' ' CG1' ' A' ' 102' ' ' VAL . . . -126.96 171.92 10.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 74.6 mt -146.21 107.24 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 42.52 32.27 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.483 ' O ' ' CG ' ' A' ' 74' ' ' LYS . . . 90.65 73.58 1.27 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.554 1.159 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 73' ' ' GLY . 0.7 OUTLIER -173.77 102.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.26 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 22.0 mm -51.14 117.56 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.516 ' HA ' ' CG ' ' A' ' 79' ' ' TYR . 8.8 m -121.5 22.38 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 55.8 p -51.68 -57.8 8.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.426 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.6 40.49 2.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.516 ' CG ' ' HA ' ' A' ' 76' ' ' VAL . 0.3 OUTLIER -85.29 177.99 7.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.47 HG21 ' CB ' ' A' ' 38' ' ' VAL . 2.3 p -115.0 152.56 32.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.415 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 85' ' ' GLU . 4.4 mt -40.73 -63.14 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -43.93 -65.88 0.45 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -39.13 -69.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.287 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -51.92 -65.76 0.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 81' ' ' LEU . 5.4 mt-10 -37.1 -58.65 0.78 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.05 -63.55 1.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.56 -63.57 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 59.4 tp -44.48 -57.53 3.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 90' ' ' LYS . 57.3 mm-40 -51.43 -60.11 3.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 89' ' ' GLN . 0.9 OUTLIER -39.59 -52.82 2.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 94' ' ' GLN . . . -47.12 -72.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.564 ' CZ2' ' HA ' ' A' ' 26' ' ' LYS . 5.3 t-105 -49.46 -49.1 46.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 108.018 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 94' ' ' GLN . 6.1 m-20 -44.51 -49.15 10.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 93' ' ' ASN . 21.5 mt-30 -35.78 -56.58 0.69 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 108.68 43.96 1.18 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.405 ' CA ' ' HD3' ' A' ' 26' ' ' LYS . . . -77.91 -174.27 42.28 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -90.32 -43.88 10.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 0.734 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -142.23 174.06 10.95 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.56 HG22 ' CZ3' ' A' ' 92' ' ' TRP . 5.3 tt -143.64 133.07 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.94 126.53 35.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.424 HD12 ' CD1' ' A' ' 24' ' ' ILE . 39.8 mt -114.32 122.88 48.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.577 ' CG1' ' CB ' ' A' ' 70' ' ' ALA . 0.2 OUTLIER -108.66 124.33 65.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.52 HG23 ' N ' ' A' ' 104' ' ' ALA . 0.8 OUTLIER -153.98 144.57 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.52 ' N ' HG23 ' A' ' 103' ' ' VAL . . . -70.52 169.56 13.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 38.8 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.2 p -122.35 -41.65 2.39 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.543 1.152 . . . . 0.0 110.416 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -52.02 -52.45 50.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -73.98 157.75 35.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.72 158.44 74.64 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.988 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -18.23 18.88 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.537 1.809 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.22 15.33 26.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.337 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -115.62 -51.8 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.3 pt -69.66 -43.36 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.56 125.59 13.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.93 -49.14 1.04 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -67.27 -177.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.754 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -133.63 85.96 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.328 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.2 t -90.29 132.48 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -125.04 121.04 33.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.429 HD13 ' CB ' ' A' ' 100' ' ' ASP . 9.6 tp -85.87 122.65 30.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.6 mt -116.2 117.13 29.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.564 ' HD2' ' CE3' ' A' ' 98' ' ' TRP . 0.0 OUTLIER -93.94 120.04 33.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.452 HD12 ' CD1' ' A' ' 101' ' ' LEU . 85.0 mt -102.62 143.07 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.6 tttm -88.7 145.59 25.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.59 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 0.4 OUTLIER -88.13 92.15 9.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -132.33 125.86 31.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.51 -69.44 0.71 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 m -179.36 170.15 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 109.944 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.478 ' HB2' ' CD2' ' A' ' 92' ' ' TRP . 55.5 tp -78.54 -74.59 0.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 60.4 73.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 tp -137.27 131.1 31.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.56 142.28 27.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 28.1 mt -127.62 155.93 43.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.351 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.406 ' CG ' ' HB2' ' A' ' 48' ' ' SER . 11.8 pt-20 -151.73 157.05 41.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.494 ' HA3' HG13 ' A' ' 42' ' ' VAL . . . 100.39 -150.0 18.77 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.137 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.573 ' N ' ' HG ' ' A' ' 40' ' ' SER . . . 65.17 177.59 6.36 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.484 HG11 ' N ' ' A' ' 39' ' ' ASP . 3.6 p 50.38 -161.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 0.736 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.484 ' N ' HG11 ' A' ' 38' ' ' VAL . 0.8 OUTLIER -69.83 57.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.573 ' HG ' ' N ' ' A' ' 37' ' ' GLY . 43.1 p -98.03 161.25 26.19 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.012 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.464 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.5 Cg_endo -74.93 -1.3 11.02 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.465 1.771 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.494 HG13 ' HA3' ' A' ' 36' ' ' GLY . 1.5 p -94.03 -43.39 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.71 -9.54 76.8 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.528 1.143 . . . . 0.0 110.97 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.485 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -143.95 -175.57 4.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 76.2 t -100.57 140.96 18.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.453 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 10.4 m -146.39 133.82 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.077 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 77.8 t -58.72 124.97 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.504 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 34.3 t -79.38 -48.41 14.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -168.83 136.21 1.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.469 HG23 ' CB ' ' A' ' 56' ' ' ALA . 2.5 p -105.42 95.33 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.421 ' C ' ' O ' ' A' ' 50' ' ' VAL . 7.9 m-30 -35.78 126.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.406 ' HA ' ' CG ' ' A' ' 57' ' ' GLU . 47.9 tt0 -76.23 108.27 9.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.349 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 136.74 -31.56 2.55 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.469 1.105 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -58.81 -156.92 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.549 ' HB1' ' CH2' ' A' ' 92' ' ' TRP . . . -91.39 -33.17 15.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.469 ' CB ' HG23 ' A' ' 50' ' ' VAL . . . -59.7 -53.93 52.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.352 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.406 ' CG ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -62.09 -48.34 80.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -46.82 -42.08 16.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -54.19 -53.43 53.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.617 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.03 76.33 0.47 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -132.82 -66.59 0.08 OUTLIER Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 38.4 t -129.96 156.78 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 0.782 . . . . 0.0 109.33 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.2 m -102.83 179.39 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.085 . . . . 0.0 109.265 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.504 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -55.86 160.44 2.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 66' ' ' ASP . . . 95.17 -24.5 28.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.463 ' CG ' ' CG1' ' A' ' 103' ' ' VAL . 6.3 t0 -39.89 156.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -93.74 97.86 10.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.3 mm -78.49 160.07 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.1 mtm -155.9 -52.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -130.54 141.32 50.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 51.6 mt -118.09 110.06 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 55.64 27.65 10.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 109.52 -53.32 0.59 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.99 122.72 7.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.779 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 21.7 mt -70.67 132.39 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 18.5 m -122.04 22.7 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.0 p -51.4 -84.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.383 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -89.28 42.89 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.558 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -95.62 153.94 17.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.991 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 81' ' ' LEU . 3.6 p -90.97 152.71 20.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.399 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 85' ' ' GLU . 2.9 mt -39.86 -64.85 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.75 -50.98 9.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.558 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -48.77 -69.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -56.94 -64.31 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 84' ' ' ALA . 5.3 mt-10 -36.38 -54.96 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.07 -55.24 17.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -43.9 -65.49 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 15.3 tp -44.13 -54.84 5.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -49.45 -63.21 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -40.04 -59.59 1.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -43.41 -53.55 5.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.59 ' CZ2' ' HA ' ' A' ' 26' ' ' LYS . 22.4 t-105 -61.0 -51.73 68.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 108.005 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 94' ' ' GLN . 34.6 m-80 -49.37 -49.59 43.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 93' ' ' ASN . 11.1 mt-30 -38.39 -33.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 115.62 -91.9 0.57 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 50.87 175.8 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -97.29 -44.16 7.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.564 ' CE3' ' HD2' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -142.17 167.74 21.39 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.3 tt -129.31 136.63 59.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.429 ' CB ' HD13 ' A' ' 21' ' ' LEU . 1.1 m-20 -95.91 112.98 24.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.452 ' CD1' HD12 ' A' ' 24' ' ' ILE . 96.4 mt -102.35 117.72 35.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 98.6 t -85.53 98.55 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.37 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.463 ' CG1' ' CG ' ' A' ' 66' ' ' ASP . 1.3 t -126.71 154.97 37.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -105.14 163.96 12.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 76.1 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 41.7 p -57.97 -55.73 31.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.383 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.7 ttp -39.58 -46.57 1.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -86.03 -179.51 6.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.13 167.63 14.65 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.979 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -34.64 3.68 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.536 1.809 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -88.6 20.26 3.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -118.44 -57.02 2.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.276 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.495 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 2.5 pt -67.75 -53.12 33.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 52.41 -134.09 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.2 22.53 25.85 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.128 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 23.9 mtpp -73.23 148.28 43.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 0.737 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.89 89.43 3.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.2 m -98.7 156.98 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -124.83 130.11 51.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -88.35 111.08 21.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 82.2 mt -105.35 155.03 19.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.73 122.99 37.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.47 HG12 ' CB ' ' A' ' 59' ' ' HIS . 6.4 mt -99.8 155.48 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.5 tttt -91.96 143.9 26.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.447 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 8.6 mttt -89.3 80.94 6.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -126.49 126.12 43.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 41.49 75.51 0.13 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 46.08 -169.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.771 . . . . 0.0 109.973 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.577 ' HB2' ' CE3' ' A' ' 92' ' ' TRP . 2.9 tp -116.44 -47.84 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 54.43 72.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.0 tp -126.97 151.87 47.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 109.306 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -114.6 143.48 44.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 51.9 mt -128.16 159.71 34.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.411 ' N ' HD22 ' A' ' 81' ' ' LEU . 10.7 pt-20 -155.98 165.37 36.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 37' ' ' GLY . . . 104.23 -124.58 8.09 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.456 1.098 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.457 ' C ' ' CG2' ' A' ' 38' ' ' VAL . . . 47.05 -175.44 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.457 ' CG2' ' C ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER 41.68 -164.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 0.751 . . . . 0.0 109.292 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -70.29 56.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.456 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 67.8 p -89.76 160.22 41.73 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 110.024 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.456 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.3 Cg_endo -74.98 -2.13 12.14 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.78 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.483 ' CG1' ' HG3' ' A' ' 44' ' ' LYS . 54.8 t -93.66 -54.36 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.39 28.94 34.6 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.483 ' HG3' ' CG1' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -177.8 167.68 2.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 0.77 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.8 t -84.09 135.58 24.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.476 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 19.6 m -146.38 133.71 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 73.5 t -60.77 112.3 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.4 t -66.34 -48.0 71.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.985 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.6 147.26 6.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.459 ' CG2' ' HB1' ' A' ' 56' ' ' ALA . 1.5 p -112.7 92.24 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -45.99 119.92 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 111.021 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -49.43 -22.7 1.24 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.68 51.28 2.32 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -147.06 -169.25 14.44 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.566 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -91.42 -38.94 12.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 0.804 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.459 ' HB1' ' CG2' ' A' ' 50' ' ' VAL . . . -47.32 -47.61 25.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -56.14 -54.81 40.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.2 mtt-85 -50.34 -38.81 43.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.509 ' CE1' ' HA3' ' A' ' 61' ' ' GLY . 15.2 t-80 -62.09 -64.34 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.615 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.08 -43.52 3.06 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.509 ' HA3' ' CE1' ' A' ' 59' ' ' HIS . . . -37.83 -48.2 1.87 Allowed Glycine 0 CA--C 1.531 1.043 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.3 t -112.57 141.59 27.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 0.78 . . . . 0.0 109.343 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.4 m -137.47 -162.76 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -76.38 143.35 40.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.27 -29.41 11.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.471 ' HB3' ' CG1' ' A' ' 103' ' ' VAL . 0.7 OUTLIER -40.83 141.89 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 0.801 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.478 ' N ' ' CG1' ' A' ' 103' ' ' VAL . 4.1 mt-10 -87.01 86.69 7.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.46 HD11 ' CG2' ' A' ' 103' ' ' VAL . 22.7 mm -63.45 148.48 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.448 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 22.0 mtm -144.39 -47.02 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -131.11 155.13 47.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 40.3 mt -131.82 107.47 13.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 59.25 24.19 12.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 112.18 -55.87 0.49 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.22 121.77 3.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.77 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 17.2 mt -68.56 130.79 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.565 HG11 ' CD2' ' A' ' 79' ' ' TYR . 13.7 m -123.38 23.41 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.0 p -55.76 -55.05 36.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 110.39 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.34 35.59 2.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.565 ' CD2' HG11 ' A' ' 76' ' ' VAL . 0.4 OUTLIER -94.22 146.72 23.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.1 p -88.96 155.09 19.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.422 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 85' ' ' GLU . 9.8 mt -41.09 -63.89 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.88 -50.13 19.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.79 -69.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -56.56 -62.81 1.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 81' ' ' LEU . 7.3 mt-10 -37.78 -45.32 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.4 -58.33 3.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -42.38 -63.25 0.79 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.085 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.405 HD23 ' CD2' ' A' ' 30' ' ' LEU . 24.2 tp -43.69 -54.06 5.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -47.25 -65.54 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 89' ' ' GLN . 30.1 mttt -39.47 -62.21 0.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' A' ' 94' ' ' GLN . . . -40.96 -62.52 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.577 ' CE3' ' HB2' ' A' ' 30' ' ' LEU . 8.3 t-105 -54.05 -51.38 64.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 108.032 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 94' ' ' GLN . 5.7 m-80 -47.83 -52.68 18.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 93' ' ' ASN . 13.3 mt-30 -34.64 -52.65 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.415 ' O ' ' CD ' ' A' ' 26' ' ' LYS . . . 137.1 -102.79 0.4 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 58.84 174.57 0.57 Allowed Glycine 0 CA--C 1.529 0.969 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -97.95 -43.38 7.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 0.745 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -140.25 158.71 43.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 108.012 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.491 HG23 ' CZ3' ' A' ' 92' ' ' TRP . 2.0 tt -117.41 159.06 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.412 ' N ' ' CG1' ' A' ' 99' ' ' ILE . 2.8 m-20 -112.54 137.26 51.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.441 HD13 ' CD1' ' A' ' 24' ' ' ILE . 39.3 mt -139.24 135.39 33.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 45.6 t -109.58 117.46 54.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.478 ' CG1' ' N ' ' A' ' 67' ' ' GLU . 6.9 t -134.46 149.7 30.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.75 154.4 23.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.7 p -145.51 -53.64 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 110.397 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.46 ' HB3' ' CD1' ' A' ' 75' ' ' ILE . 16.9 mtm -42.7 -50.02 5.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.624 ' CZ ' ' SD ' ' A' ' 69' ' ' MET . 23.5 m-85 -66.83 -160.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.76 169.06 11.05 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -10.73 21.26 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.797 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.4 16.84 21.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.401 ' HG3' ' N ' ' A' ' 14' ' ' ILE . 8.2 tp60 -120.57 -49.91 2.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.401 ' N ' ' HG3' ' A' ' 13' ' ' GLN . 1.1 pt -73.76 -45.7 49.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -42.37 121.9 2.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.79 -50.19 0.98 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -69.92 172.55 7.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 109.235 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.91 86.31 2.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.363 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 62.5 t -80.14 142.5 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -135.96 130.31 33.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.417 HD11 ' N ' ' A' ' 22' ' ' LEU . 3.5 tp -91.46 114.59 27.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.417 ' N ' HD11 ' A' ' 21' ' ' LEU . 36.9 mt -111.76 103.99 12.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.439 ' CZ ' ' OD1' ' A' ' 100' ' ' ASP . 0.6 OUTLIER -83.73 117.74 23.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.32 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.463 HG12 ' CG ' ' A' ' 59' ' ' HIS . 11.9 mt -95.52 155.06 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -92.18 148.31 22.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.582 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 4.0 mttp -98.28 84.05 3.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.91 120.51 29.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.24 -67.05 3.36 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.444 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 3.3 m -177.38 -175.41 0.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.537 ' HB2' ' CD2' ' A' ' 92' ' ' TRP . 58.4 tp -90.29 -79.2 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.425 ' HB3' ' CD2' ' A' ' 51' ' ' TYR . 0.8 OUTLIER 68.72 64.87 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.8 tp -131.32 130.6 42.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.35 152.83 20.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.247 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 72.1 mt -131.72 160.99 33.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.448 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 12.0 pt-20 -153.18 139.24 18.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.461 ' HA2' ' CB ' ' A' ' 40' ' ' SER . . . 93.42 -143.3 16.42 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.504 1.127 . . . . 0.0 110.979 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . 86.04 -71.8 2.79 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.486 ' CG2' HG23 ' A' ' 80' ' ' THR . 2.8 p -59.96 -149.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 0.77 . . . . 0.0 109.347 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.485 ' N ' ' CG1' ' A' ' 38' ' ' VAL . 53.3 p-10 -79.86 51.29 1.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.536 ' CB ' ' CD ' ' A' ' 41' ' ' PRO . 0.7 OUTLIER -89.88 179.9 1.4 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.995 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.536 ' CD ' ' CB ' ' A' ' 40' ' ' SER . 18.4 Cg_endo -74.98 -4.6 15.64 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.529 1.805 . . . . 0.0 111.044 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.476 HG11 ' CG ' ' A' ' 44' ' ' LYS . 7.8 t -101.28 -58.79 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.66 12.1 64.96 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.476 ' CG ' HG11 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -145.59 174.22 11.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 0.798 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.9 t -99.26 114.61 37.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.44 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 21.9 m -127.37 135.19 64.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.5 t -57.79 115.69 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.508 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 6.2 t -67.73 -45.03 76.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.022 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.67 146.97 5.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.4 t -110.0 90.26 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.425 ' CD2' ' HB3' ' A' ' 31' ' ' ASP . 4.1 m-30 -40.11 124.04 1.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 16.1 pt-20 -78.87 53.32 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.363 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -157.5 -39.44 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.35 -161.35 0.48 Allowed Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.56 ' HB2' ' CH2' ' A' ' 92' ' ' TRP . . . -86.05 -34.39 20.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 0.768 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -44.88 -59.76 2.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -52.23 -53.37 44.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.263 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -39.3 -57.75 1.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.463 ' CG ' HG12 ' A' ' 24' ' ' ILE . 9.4 t-80 -41.81 -50.22 4.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.597 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.83 66.21 2.7 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -138.06 -80.46 0.08 OUTLIER Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.9 p -87.25 140.72 15.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.483 0.755 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.0 m -114.73 -173.5 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.508 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.4 OUTLIER -70.2 143.69 52.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.16 -3.57 62.04 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.2 p-10 -56.75 -165.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 0.766 . . . . 0.0 109.312 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -134.45 77.41 1.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.6 mm -70.8 109.44 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.624 ' SD ' ' CZ ' ' A' ' 9' ' ' PHE . 6.2 ptm -95.31 -34.75 12.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.965 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.446 ' N ' ' HG2' ' A' ' 69' ' ' MET . . . -137.59 175.73 9.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 83.4 mt -144.28 107.34 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 53.1 22.75 2.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.404 ' O ' ' SD ' ' A' ' 8' ' ' MET . . . 114.37 -59.45 0.4 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.5 mttp -45.2 112.58 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 0.733 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 8' ' ' MET . 32.9 mt -60.68 133.22 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.419 ' CA ' ' HB2' ' A' ' 79' ' ' TYR . 14.5 m -123.81 23.08 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.456 ' CG2' HG21 ' A' ' 75' ' ' ILE . 81.3 p -65.27 -21.31 66.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.417 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.5 p30 -132.89 28.92 4.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.419 ' HB2' ' CA ' ' A' ' 76' ' ' VAL . 0.7 OUTLIER -95.56 141.71 28.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.105 . . . . 0.0 110.948 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.486 HG23 ' CG2' ' A' ' 38' ' ' VAL . 5.3 p -85.11 156.94 20.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 110.389 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.448 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 4.3 mt -39.64 -63.63 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.28 -59.15 3.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.095 . . . . 0.0 109.323 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -43.06 -68.22 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.333 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -54.59 -65.12 0.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 84' ' ' ALA . 6.9 mt-10 -37.37 -46.88 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.02 -57.53 4.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 88' ' ' LEU . . . -42.58 -65.81 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.467 ' HG ' ' CD2' ' A' ' 30' ' ' LEU . 10.9 tp -40.38 -58.43 1.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' TRP . 11.7 mm100 -49.32 -58.39 5.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -40.23 -57.38 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -47.84 -43.19 27.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.582 ' CZ2' ' HA ' ' A' ' 26' ' ' LYS . 10.3 t-105 -69.07 -46.18 68.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 108.007 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 94' ' ' GLN . 5.2 m-80 -56.99 -44.84 83.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 93' ' ' ASN . 20.5 mt-30 -37.85 -59.8 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.401 ' O ' ' HD3' ' A' ' 26' ' ' LYS . . . 143.33 -104.56 0.35 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 54.83 171.94 0.07 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.543 ' HB3' ' CD2' ' A' ' 98' ' ' TRP . 0.8 OUTLIER -90.19 -43.94 10.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.755 . . . . 0.0 109.309 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.543 ' CD2' ' HB3' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -136.52 175.32 9.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 107.975 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.463 HG22 ' CZ3' ' A' ' 92' ' ' TRP . 5.3 tt -130.58 154.94 41.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.439 ' OD1' ' CZ ' ' A' ' 23' ' ' ARG . 13.1 m-20 -110.63 133.42 53.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.461 ' CD1' ' CD1' ' A' ' 24' ' ' ILE . 12.1 mt -126.3 133.58 51.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.509 ' CG1' ' SD ' ' A' ' 69' ' ' MET . 78.8 t -106.91 120.64 58.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -151.07 148.07 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.57 174.5 5.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.0 p -92.49 11.14 27.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.39 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.21 -30.56 7.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -98.89 131.87 44.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.1 160.65 0.65 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.033 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -19.49 17.9 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.516 1.798 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -98.94 14.73 28.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 -112.42 -55.26 2.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.6 pt -65.06 -56.33 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 40.55 77.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.26 -42.19 3.13 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -40.37 107.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -83.17 101.9 11.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.516 ' CG1' ' CG1' ' A' ' 102' ' ' VAL . 99.6 t -78.56 134.29 28.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.4 ' HD2' ' CG2' ' A' ' 105' ' ' VAL . 1.3 mtt180 -126.19 123.66 38.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.2 tp -92.19 103.7 16.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.447 ' CD1' HG23 ' A' ' 62' ' ' VAL . 58.8 mt -94.95 137.26 34.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.568 ' CZ ' ' CE3' ' A' ' 98' ' ' TRP . 0.0 OUTLIER -106.36 116.94 32.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.461 HD12 ' CD1' ' A' ' 101' ' ' LEU . 50.7 mt -100.61 152.66 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 ttmm -81.46 139.03 35.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.574 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 9.9 mttt -89.91 82.2 6.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 2.0 tp10 -129.91 135.58 48.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 43.47 63.46 2.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.503 ' O ' ' CZ2' ' A' ' 92' ' ' TRP . 0.2 OUTLIER 53.26 -161.01 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.759 . . . . 0.0 109.993 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.554 ' HB2' ' CD2' ' A' ' 92' ' ' TRP . 45.5 tp -100.46 -69.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 70.0 74.44 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.466 ' CD1' HG22 ' A' ' 50' ' ' VAL . 4.2 tp -147.06 136.29 22.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.86 146.06 24.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 28.7 mt -128.02 155.91 43.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -155.89 149.09 24.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.272 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.513 ' HA3' HG13 ' A' ' 42' ' ' VAL . . . 106.04 -147.32 16.22 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.677 ' N ' ' HG ' ' A' ' 40' ' ' SER . . . 67.39 -169.4 36.79 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.561 ' CG1' ' N ' ' A' ' 39' ' ' ASP . 1.5 p 36.53 -150.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 0.0 109.263 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.561 ' N ' ' CG1' ' A' ' 38' ' ' VAL . 2.2 m-20 -77.57 54.79 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.677 ' HG ' ' N ' ' A' ' 37' ' ' GLY . 82.4 p -91.44 160.0 37.81 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.986 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.2 Cg_endo -75.05 -1.82 11.74 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.78 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.513 HG13 ' HA3' ' A' ' 36' ' ' GLY . 2.4 p -94.34 -41.35 12.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.7 -0.01 89.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.509 ' HD2' ' CG1' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -150.12 170.45 18.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 38.3 t -88.62 138.22 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.509 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 12.1 m -146.57 134.45 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 63.6 t -63.46 120.02 9.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.441 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 21.7 t -69.25 -49.76 53.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.06 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.56 150.39 7.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.251 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.466 HG22 ' CD1' ' A' ' 32' ' ' LEU . 78.3 t -108.8 99.73 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -49.51 108.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -47.36 -25.15 0.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.49 65.1 1.83 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -165.97 -175.95 36.86 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 27' ' ' GLU . . . -82.78 -29.39 29.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 0.756 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.449 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -54.27 -51.62 63.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 58' ' ' ARG . 7.9 tm-20 -56.82 -53.35 58.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 57' ' ' GLU . 6.8 mtp85 -37.21 -52.27 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.452 ' CG ' HG12 ' A' ' 24' ' ' ILE . 22.8 t-80 -56.07 -64.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.571 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.09 -34.36 4.31 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.1 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -40.2 -62.8 1.45 Allowed Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.447 HG23 ' CD1' ' A' ' 22' ' ' LEU . 3.0 t -89.9 137.52 21.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.1 m -127.18 -156.74 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.441 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.1 OUTLIER -88.06 135.26 33.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.57 -23.4 32.93 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.482 ' HB3' ' CG1' ' A' ' 103' ' ' VAL . 0.5 OUTLIER -41.75 136.15 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 0.733 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -78.31 96.78 5.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 110.238 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.0 mm -78.58 140.04 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.441 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 38.5 mtm -143.04 -48.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -126.49 142.29 51.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 93.1 mt -127.48 115.38 39.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.1 m120 59.93 16.22 5.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.252 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 109.95 -33.03 6.26 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.44 1.088 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -59.39 138.78 57.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.769 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 19.7 mm -79.88 118.94 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' A' ' 69' ' ' MET . 14.5 m -123.76 23.05 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 70.4 p -56.3 -58.84 6.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.401 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -105.16 42.08 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.534 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -94.77 144.87 25.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 81' ' ' LEU . 3.1 p -83.46 156.19 23.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.405 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 85' ' ' GLU . 3.0 mt -39.54 -63.17 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.29 -65.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.534 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 11.3 mt-10 -39.35 -69.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.23 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -51.66 -65.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 84' ' ' ALA . 5.9 mt-10 -36.89 -58.31 0.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 87' ' ' ALA . . . -61.18 -64.83 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 86' ' ' ALA . . . -39.57 -65.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 87' ' ' ALA . 14.8 tp -40.52 -53.37 2.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 92' ' ' TRP . 13.0 mm100 -58.66 -58.89 6.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -39.84 -54.53 2.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.4 ' HA ' ' HG3' ' A' ' 94' ' ' GLN . . . -49.68 -45.47 48.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.576 ' CZ3' HG22 ' A' ' 99' ' ' ILE . 8.2 t-105 -68.46 -48.69 63.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 108.004 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 94' ' ' GLN . 3.2 m-80 -45.75 -41.43 10.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 93' ' ' ASN . 30.8 mt-30 -35.91 -47.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.46 104.07 1.23 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.548 ' N ' ' HZ1' ' A' ' 26' ' ' LYS . . . -147.58 -162.87 10.29 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -95.98 -43.83 7.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.568 ' CE3' ' CZ ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -142.14 145.62 34.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 107.997 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.576 HG22 ' CZ3' ' A' ' 92' ' ' TRP . 8.3 tt -110.7 152.72 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -100.28 138.66 37.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.461 ' CD1' HD12 ' A' ' 24' ' ' ILE . 11.0 mt -142.82 118.23 10.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.516 ' CG1' ' CG1' ' A' ' 19' ' ' VAL . 94.7 t -95.76 129.76 45.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 66' ' ' ASP . 43.0 t -150.25 147.7 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.463 ' N ' HG11 ' A' ' 103' ' ' VAL . . . -85.5 151.32 24.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.4 ' CG2' ' HD2' ' A' ' 20' ' ' ARG . 31.1 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.6 p -39.38 -55.74 1.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -40.88 -42.06 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -93.14 176.41 6.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.72 157.51 46.41 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.941 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -12.93 21.47 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.533 1.807 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -105.98 14.57 27.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -116.55 -53.98 2.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.281 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.2 pt -66.32 -35.34 74.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.14 124.37 7.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.88 -37.78 3.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -69.67 169.55 12.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.787 . . . . 0.0 109.299 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -126.02 90.97 3.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -112.42 122.39 66.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -115.34 159.44 21.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.7 tp -120.23 105.78 11.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 mt -102.07 132.71 47.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.461 ' HD3' ' CB ' ' A' ' 98' ' ' TRP . 0.3 OUTLIER -98.01 101.91 13.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.294 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.532 ' HA ' ' CD2' ' A' ' 59' ' ' HIS . 10.6 mt -85.49 155.12 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -96.01 141.44 29.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.422 ' HE3' ' HB ' ' A' ' 99' ' ' ILE . 22.7 mttt -88.64 74.69 8.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -125.36 149.64 47.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 110.302 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.05 -80.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 27' ' ' GLU . 3.4 m 179.67 161.44 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 0.733 . . . . 0.0 110.024 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.508 ' HB2' ' CD2' ' A' ' 92' ' ' TRP . 39.2 tp -73.11 -77.84 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 68.36 59.34 0.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.455 ' CD1' ' HB ' ' A' ' 50' ' ' VAL . 9.1 tp -124.43 128.68 49.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.1 151.82 19.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 23.5 mt -131.3 156.66 45.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -153.57 161.78 41.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 110.326 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.448 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . 93.05 -130.8 10.49 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.465 ' O ' HG13 ' A' ' 38' ' ' VAL . . . 52.49 174.55 0.04 OUTLIER Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.477 ' CG1' ' N ' ' A' ' 39' ' ' ASP . 2.0 p 48.31 -154.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 0.729 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.477 ' N ' ' CG1' ' A' ' 38' ' ' VAL . 4.5 t0 -70.13 56.55 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.46 ' OG ' ' O ' ' A' ' 37' ' ' GLY . 13.0 p -96.41 159.93 30.78 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.2 Cg_endo -75.03 -3.87 14.56 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.48 ' CG2' ' HG3' ' A' ' 44' ' ' LYS . 1.6 p -91.1 -38.71 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.02 -0.81 86.71 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.488 1.118 . . . . 0.0 111.039 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.485 ' HD2' ' CG1' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -149.88 -175.22 4.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 109.294 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.5 t -98.63 138.02 24.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.485 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 4.9 m -146.41 132.46 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 69.1 t -59.51 119.92 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.0 t -70.66 -49.83 43.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.028 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -167.25 148.12 5.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.329 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.47 HG21 ' CB ' ' A' ' 56' ' ' ALA . 3.9 p -122.04 89.73 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -45.3 114.98 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 111.043 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -46.91 -25.16 0.72 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.88 44.01 3.28 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -134.82 -171.02 12.35 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.58 ' HB1' ' CH2' ' A' ' 92' ' ' TRP . . . -90.83 -26.15 19.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 0.797 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.47 ' CB ' HG21 ' A' ' 50' ' ' VAL . . . -59.02 -51.78 68.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.432 1.083 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -64.54 -44.77 89.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -47.34 -31.06 3.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 0.0 110.29 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.532 ' CD2' ' HA ' ' A' ' 24' ' ' ILE . 56.4 t-80 -79.06 -60.38 2.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.596 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.74 136.2 7.05 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 125.13 -46.0 1.12 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.405 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 1.5 p -99.8 119.83 48.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.451 ' N ' ' OD2' ' A' ' 66' ' ' ASP . 4.5 m -127.86 -157.62 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -82.21 149.55 27.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.097 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.1 -15.11 60.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.487 ' HB3' ' CG2' ' A' ' 103' ' ' VAL . 0.6 OUTLIER -47.31 169.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 0.786 . . . . 0.0 109.326 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -114.72 75.6 0.94 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.7 mm -62.23 134.98 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 26.7 mtm -130.83 -43.67 1.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.418 ' CB ' ' HB ' ' A' ' 102' ' ' VAL . . . -136.66 130.28 31.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 7.8 mt -112.27 107.29 22.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 71' ' ' ILE . 4.2 t-20 81.04 -55.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 170.11 40.09 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.83 112.31 7.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 0.767 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.7 mt -52.6 125.95 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.412 ' CA ' ' HB2' ' A' ' 79' ' ' TYR . 24.5 m -124.22 17.56 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 32.0 p -59.65 -40.21 86.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.6 37.62 3.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.429 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -101.6 158.03 16.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.468 HG21 ' CB ' ' A' ' 38' ' ' VAL . 6.0 p -96.74 156.59 16.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.401 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 85' ' ' GLU . 5.0 mt -39.44 -63.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.52 -66.31 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.429 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 54.7 mt-10 -38.82 -69.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -51.42 -65.47 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 84' ' ' ALA . 7.8 mt-10 -36.81 -52.2 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.06 -61.05 2.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.42 -48.24 3.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.5 tp -57.32 -54.15 50.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 90' ' ' LYS . 15.4 mt-30 -57.6 -60.9 2.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.14 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 89' ' ' GLN . 4.6 mmtm -37.54 -39.64 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 94' ' ' GLN . . . -61.14 -67.28 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.58 ' CH2' ' HB1' ' A' ' 55' ' ' ALA . 8.7 t-105 -54.54 -42.3 70.77 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.485 ' O ' ' C ' ' A' ' 94' ' ' GLN . 19.4 m-20 -49.51 -47.06 49.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.087 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.485 ' C ' ' O ' ' A' ' 93' ' ' ASN . 26.1 mt-30 -32.38 -58.72 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 98.63 60.39 0.89 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -99.25 -160.97 29.31 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.536 ' HB3' ' CD2' ' A' ' 98' ' ' TRP . 28.9 m-20 -98.41 -45.14 6.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.536 ' CD2' ' HB3' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -138.01 166.52 23.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 0.0 108.02 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.573 HG23 ' CZ3' ' A' ' 92' ' ' TRP . 8.5 tt -136.53 165.47 28.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.443 ' N ' ' CG1' ' A' ' 99' ' ' ILE . 2.6 m-20 -126.87 138.82 53.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 80.5 mt -131.2 112.94 13.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.418 ' HB ' ' CB ' ' A' ' 70' ' ' ALA . 53.8 t -90.66 103.32 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.489 HG22 ' N ' ' A' ' 104' ' ' ALA . 2.0 p -140.4 141.17 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.489 ' N ' HG22 ' A' ' 103' ' ' VAL . . . -77.97 150.82 33.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 58.9 t . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.947 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 8' ' ' MET . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 68.45 -60.64 0.42 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 110.39 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -55.36 -41.28 72.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -87.09 153.97 21.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.37 159.11 82.53 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -14.51 21.22 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.475 1.776 . . . . 0.0 111.019 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.45 11.12 32.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -111.68 -41.95 3.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 110.32 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.2 pt -81.27 -32.82 12.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.17 118.93 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.33 -45.82 2.41 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.459 1.099 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.6 mttm -62.57 148.67 45.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 0.772 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 104' ' ' ALA . 5.2 m-20 -104.13 85.3 2.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.426 ' HA ' ' HA ' ' A' ' 104' ' ' ALA . 0.7 OUTLIER -88.02 117.79 32.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.1 mtp85 -123.62 135.19 53.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.274 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 27.0 tp -95.98 133.42 40.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.451 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 31.9 mt -130.9 141.72 50.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.83 120.68 41.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.6 mt -103.49 152.46 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.41 143.91 25.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.565 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 13.1 mttt -89.14 79.71 7.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -130.85 125.1 32.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.12 -78.13 2.03 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.5 m 179.95 173.09 0.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 110.051 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 27.9 tp -87.88 -77.31 0.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 63.13 55.27 1.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.465 HD11 ' CB ' ' A' ' 56' ' ' ALA . 19.9 tp -117.12 130.91 56.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.148 . . . . 0.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.43 145.7 24.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 76.0 mt -129.62 159.72 35.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.454 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 11.3 pt-20 -155.53 155.57 33.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.458 ' HA3' HG13 ' A' ' 42' ' ' VAL . . . 104.93 -136.42 13.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.419 1.074 . . . . 0.0 110.985 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.571 ' N ' ' HG ' ' A' ' 40' ' ' SER . . . 59.48 -174.77 3.72 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.556 ' CG1' ' N ' ' A' ' 39' ' ' ASP . 0.5 OUTLIER 41.17 -157.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.748 . . . . 0.0 109.319 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.556 ' N ' ' CG1' ' A' ' 38' ' ' VAL . 11.7 t0 -70.83 57.99 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.571 ' HG ' ' N ' ' A' ' 37' ' ' GLY . 54.7 p -95.44 160.43 30.57 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.96 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.444 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.2 Cg_endo -74.98 -4.73 15.84 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.476 1.777 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.472 ' CG2' ' HG3' ' A' ' 44' ' ' LYS . 2.4 p -89.46 -40.09 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.1 5.4 89.04 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.132 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.472 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -155.93 171.96 19.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.9 t -93.96 142.88 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.427 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 13.2 m -146.12 -167.09 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.4 t -106.22 135.65 43.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.6 t -94.14 -46.02 7.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.016 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.93 148.82 6.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.2 p -120.88 91.37 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.249 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -49.46 116.19 1.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -41.8 -30.75 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.337 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.91 54.75 4.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.499 1.124 . . . . 0.0 111.047 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -147.32 -165.59 11.91 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.608 ' CB ' ' CH2' ' A' ' 92' ' ' TRP . . . -90.72 -48.56 6.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.465 ' CB ' HD11 ' A' ' 32' ' ' LEU . . . -42.05 -45.69 3.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.401 ' CD ' ' C ' ' A' ' 57' ' ' GLU . 10.1 tm-20 -53.08 -56.59 15.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -43.09 -42.23 3.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.451 ' CE1' ' HB3' ' A' ' 22' ' ' LEU . 38.2 t-80 -61.88 -65.68 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.608 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.93 -52.79 1.43 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -44.11 -47.67 8.12 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.424 HG21 ' CD1' ' A' ' 22' ' ' LEU . 2.7 t -89.03 128.1 41.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.5 m -135.55 -168.31 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.09 153.5 38.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.06 40.17 96.83 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.416 ' HB3' ' CG2' ' A' ' 103' ' ' VAL . 0.5 OUTLIER -88.45 172.63 9.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 109.26 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.94 58.64 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.1 mm -62.12 142.86 15.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.492 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 37.7 mtm -142.31 -45.69 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -131.23 145.38 51.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.429 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 40.6 mt -118.76 107.2 21.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 67.12 18.89 10.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 112.7 -42.98 1.81 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.564 1.165 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.47 130.42 35.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 0.751 . . . . 0.0 109.297 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 6.9 mt -75.11 126.2 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 69' ' ' MET . 12.1 m -123.58 15.71 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 33.4 p -60.1 -22.28 62.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 110.388 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -131.81 31.18 4.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.486 ' CD2' HG13 ' A' ' 76' ' ' VAL . 0.4 OUTLIER -95.09 148.21 22.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.481 HG23 ' CB ' ' A' ' 38' ' ' VAL . 6.7 p -88.79 156.86 18.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.398 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.454 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 4.8 mt -40.13 -64.16 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.64 -59.49 3.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -43.76 -69.39 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 110.334 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -52.67 -65.39 0.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 84' ' ' ALA . 5.1 mt-10 -36.85 -50.1 0.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.321 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.2 -52.1 38.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.24 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -45.35 -68.93 0.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.429 ' HB2' ' CD1' ' A' ' 71' ' ' ILE . 35.1 tp -42.49 -62.76 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 90' ' ' LYS . 15.9 mm100 -47.52 -66.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 89' ' ' GLN . 2.1 mmtm -36.91 -42.07 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.472 ' HB2' ' CD1' ' A' ' 99' ' ' ILE . . . -59.77 -57.35 13.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.608 ' CH2' ' CB ' ' A' ' 55' ' ' ALA . 13.6 t-105 -60.56 -44.44 96.16 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 94' ' ' GLN . 2.8 m-80 -47.59 -44.08 26.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 93' ' ' ASN . 15.2 mt-30 -36.68 -51.75 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.59 22.98 8.6 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -59.62 -175.24 0.89 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -89.5 -43.83 10.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 0.78 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -142.27 168.43 19.75 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.472 ' CD1' ' HB2' ' A' ' 91' ' ' ALA . 4.5 tt -137.66 143.14 34.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.34 129.66 54.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.075 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 56.2 mt -120.16 113.85 21.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.264 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 78.0 t -82.19 105.26 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 109.267 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.416 ' CG2' ' HB3' ' A' ' 66' ' ' ASP . 2.1 p -145.3 140.38 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 18' ' ' ASP . . . -85.04 148.63 26.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.452 ' CG1' ' HB3' ' A' ' 18' ' ' ASP . 10.3 p . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.7 p -128.43 -48.25 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 0.0 110.434 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -49.67 -51.43 38.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -64.63 166.95 7.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.38 161.14 65.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -19.3 17.89 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.67 17.93 20.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 110.335 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -117.73 -54.09 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.4 pt -66.17 -40.63 87.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.17 125.08 8.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.06 -47.91 1.47 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.458 1.099 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -66.51 -179.4 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.78 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -134.15 85.88 2.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 70.5 t -88.88 140.3 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.456 ' HG3' ' CG2' ' A' ' 105' ' ' VAL . 0.7 OUTLIER -137.83 132.85 33.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.1 tp -98.1 122.17 40.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.5 mt -111.3 149.53 30.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.573 ' HD2' ' CE3' ' A' ' 98' ' ' TRP . 22.3 ttp180 -116.79 108.79 16.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.516 HG12 ' CG ' ' A' ' 59' ' ' HIS . 81.6 mt -100.81 138.39 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.403 ' N ' HG23 ' A' ' 24' ' ' ILE . 14.2 ttpt -74.06 142.95 45.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.566 1.166 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.567 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -91.06 79.11 5.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -135.67 137.51 41.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 52.3 66.61 2.52 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 p 44.33 -167.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 0.755 . . . . 0.0 109.978 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.52 ' HB2' ' CD2' ' A' ' 92' ' ' TRP . 42.7 tp -104.9 -63.01 1.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 60.13 81.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.4 tp -142.1 134.34 27.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.78 132.69 39.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.8 mt -121.22 156.49 32.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -156.49 144.03 19.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.504 ' HA3' HG12 ' A' ' 42' ' ' VAL . . . 114.12 -156.84 15.36 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.471 1.107 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.51 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . 70.71 -168.36 49.52 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.55 ' CG1' ' N ' ' A' ' 39' ' ' ASP . 2.7 p 33.27 -146.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 0.725 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.55 ' N ' ' CG1' ' A' ' 38' ' ' VAL . 1.9 t0 -80.32 50.34 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 96.6 p -88.13 159.91 47.1 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.975 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.3 Cg_endo -75.02 5.35 4.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.547 ' CG2' ' HG3' ' A' ' 44' ' ' LYS . 1.7 p -108.52 -49.23 7.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.07 1.78 66.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.547 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -145.95 178.05 8.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.2 t -100.0 121.71 51.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.2 m -132.72 135.31 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.419 ' CG1' ' HA ' ' A' ' 64' ' ' LYS . 43.7 t -57.51 129.24 19.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.493 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 4.4 t -83.38 -44.21 15.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.038 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.59 147.52 6.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.31 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.6 t -105.86 90.19 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -47.21 108.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.458 ' HA ' ' CB ' ' A' ' 57' ' ' GLU . 4.8 pt-20 -50.78 -24.15 3.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.49 45.61 2.57 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -145.25 -165.31 11.16 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.573 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -91.31 -32.94 15.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 0.777 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.62 -58.19 6.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.458 ' CB ' ' HA ' ' A' ' 52' ' ' GLU . 5.9 tp10 -58.63 -45.44 89.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.349 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.19 -54.96 7.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.343 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.516 ' CG ' HG12 ' A' ' 24' ' ' ILE . 16.6 t-80 -48.04 -65.7 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.575 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.77 129.98 1.43 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.459 1.099 . . . . 0.0 111.034 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 163.7 -64.91 0.24 Allowed Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.3 p -122.38 143.73 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.567 0.804 . . . . 0.0 109.267 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.2 m -100.11 -169.19 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.493 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.2 OUTLIER -61.65 159.79 12.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.81 -18.17 57.98 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.482 ' HB2' ' CG2' ' A' ' 103' ' ' VAL . 10.3 p-10 -42.03 161.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.41 ' N ' ' CG2' ' A' ' 103' ' ' VAL . 1.8 mt-10 -104.06 79.47 1.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.418 ' CD1' ' OD2' ' A' ' 66' ' ' ASP . 2.8 mm -63.26 143.06 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.434 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 8.6 mtm -143.25 -50.9 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -128.33 134.13 48.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.588 1.18 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.501 ' O ' ' HB2' ' A' ' 72' ' ' ASN . 75.0 mt -106.16 107.66 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.501 ' HB2' ' O ' ' A' ' 71' ' ' ILE . 1.8 m120 75.59 -52.83 0.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -168.62 -39.98 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.14 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.13 152.9 15.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.4 mt -91.32 125.56 44.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.347 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.462 ' CA ' ' HB2' ' A' ' 79' ' ' TYR . 12.7 m -123.73 16.93 4.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 42.5 p -56.35 -37.69 70.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 110.393 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -119.1 36.67 4.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.528 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -96.05 155.17 16.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.981 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 81' ' ' LEU . 16.7 p -92.01 155.6 17.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.416 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 85' ' ' GLU . 3.4 mt -39.64 -64.09 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.65 -62.95 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.346 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.528 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 13.5 mt-10 -40.21 -68.7 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -53.61 -65.08 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 84' ' ' ALA . 4.7 mt-10 -36.92 -60.01 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 87' ' ' ALA . . . -60.65 -60.24 4.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 86' ' ' ALA . . . -39.46 -59.03 1.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 13.4 tp -47.98 -55.83 9.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 92' ' ' TRP . 3.3 mt-30 -48.29 -61.54 1.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 93' ' ' ASN . 31.1 mttt -39.87 -63.66 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.428 ' HB2' ' ND2' ' A' ' 72' ' ' ASN . . . -39.82 -41.39 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.573 ' CH2' ' HB3' ' A' ' 55' ' ' ALA . 20.2 t-105 -70.65 -50.13 39.97 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 90' ' ' LYS . 19.0 m-80 -54.96 -44.14 74.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.243 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 93' ' ' ASN . 11.4 mt-30 -37.35 -36.76 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 96' ' ' GLY . . . 119.16 -95.74 0.62 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 95' ' ' GLY . . . 50.15 175.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -98.28 -44.67 6.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.573 ' CE3' ' HD2' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -142.22 141.06 32.5 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.494 ' HB ' ' CE ' ' A' ' 26' ' ' LYS . 13.7 tt -96.25 161.92 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.152 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -117.46 140.54 49.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 64.9 mt -128.8 121.69 28.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 41.7 t -102.19 98.39 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.482 ' CG2' ' HB2' ' A' ' 66' ' ' ASP . 1.4 p -136.38 147.35 27.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.428 ' N ' HG22 ' A' ' 103' ' ' VAL . . . -72.12 164.48 26.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.456 ' CG2' ' HG3' ' A' ' 20' ' ' ARG . 88.7 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.15 -63.46 1.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.82 162.59 13.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.43 -136.19 2.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.16 129.23 34.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 0.771 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -172.03 73.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.1 t -172.98 -44.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.379 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.78 -37.71 6.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -77.08 179.91 5.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.66 163.59 25.55 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -21.19 16.16 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.52 1.8 . . . . 0.0 111.04 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.53 11.85 38.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.348 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -111.34 -44.54 3.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.3 pt -78.74 -55.36 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.355 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 57.1 68.93 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 42.58 34.82 1.84 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.53 1.144 . . . . 0.0 110.954 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.15 172.46 2.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 0.784 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -115.25 86.07 2.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -111.16 153.34 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.418 1.073 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -131.48 171.4 13.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.259 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.8 tp -123.7 96.88 5.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.348 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.47 ' CD1' HG13 ' A' ' 62' ' ' VAL . 25.0 mt -89.13 140.67 29.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.86 117.97 31.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.408 HG12 ' CB ' ' A' ' 59' ' ' HIS . 96.5 mt -105.24 141.95 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.406 ' O ' ' CH2' ' A' ' 92' ' ' TRP . 5.9 ttpp -76.97 138.77 39.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.567 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 41.8 mttt -84.21 60.09 5.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -134.8 127.45 30.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.341 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.1 34.17 15.56 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.529 ' O ' ' CZ2' ' A' ' 92' ' ' TRP . 4.9 p 63.01 -177.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 109.996 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.522 ' HB2' ' CD2' ' A' ' 92' ' ' TRP . 26.0 tp -94.86 -67.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 58.33 81.56 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.9 tp -145.25 146.19 31.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -115.83 142.0 47.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.1 mt -126.6 156.99 40.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -156.12 140.29 16.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.12 -143.69 18.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 38' ' ' VAL . . . 60.38 -161.59 20.81 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.554 ' CG1' ' N ' ' A' ' 39' ' ' ASP . 1.6 p 35.14 -150.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.554 ' N ' ' CG1' ' A' ' 38' ' ' VAL . 4.6 m-20 -88.45 51.22 2.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.6 170.67 8.18 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -6.74 18.44 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.497 1.788 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.454 ' CG1' ' HG2' ' A' ' 44' ' ' LYS . 72.3 t -87.68 -58.31 3.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.35 19.45 58.68 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.454 ' HG2' ' CG1' ' A' ' 42' ' ' VAL . 23.0 pttt -163.7 177.65 8.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.776 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 32.6 t -102.14 118.18 48.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.6 m -131.15 135.03 60.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 42.6 t -58.12 116.48 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.423 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 13.1 t -66.87 -47.71 71.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.55 149.61 6.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 86.1 t -105.71 93.14 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.3 m-30 -44.88 117.73 1.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.85 -21.22 63.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -104.09 54.12 0.67 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.445 1.091 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -153.38 -179.26 28.7 Favored Glycine 0 CA--C 1.529 0.947 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.578 ' HB1' ' CH2' ' A' ' 92' ' ' TRP . . . -78.68 -18.53 54.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 0.76 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.29 -55.22 22.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.264 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 58' ' ' ARG . 12.8 tm-20 -58.09 -50.69 72.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 57' ' ' GLU . 3.1 mtt-85 -37.72 -53.14 1.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.408 ' CB ' HG12 ' A' ' 24' ' ' ILE . 51.7 t-80 -57.48 -65.81 0.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.588 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.34 -147.81 19.74 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.12 -80.39 1.11 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.47 HG13 ' CD1' ' A' ' 22' ' ' LEU . 11.9 m -88.52 156.17 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 0.744 . . . . 0.0 109.363 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.406 ' O ' ' CG ' ' A' ' 66' ' ' ASP . 3.9 m -140.34 179.05 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.423 ' CD ' ' O ' ' A' ' 48' ' ' SER . 5.1 ttpp -45.52 152.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.15 -1.33 77.02 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.469 ' HB3' ' CG2' ' A' ' 103' ' ' VAL . 68.3 m-20 -60.15 178.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -123.01 79.12 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.8 mm -67.61 140.46 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.495 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 44.5 mtm -139.65 -46.15 0.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -127.24 144.18 51.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 41.0 mt -124.88 110.51 25.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 58.21 18.07 5.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.96 45.3 2.89 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.99 101.89 4.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 0.758 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 6.6 mt -52.14 117.75 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 69' ' ' MET . 35.3 m -123.55 21.09 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 28.2 p -63.03 -23.22 67.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.401 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.07 26.98 6.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.563 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.3 OUTLIER -96.31 151.64 19.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.466 HG21 ' CB ' ' A' ' 38' ' ' VAL . 1.9 p -91.15 157.15 17.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.367 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 85' ' ' GLU . 3.5 mt -39.64 -63.89 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -48.08 -65.16 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.563 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 34.6 mt-10 -38.89 -68.94 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -52.59 -66.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 84' ' ' ALA . 6.8 mt-10 -37.11 -61.84 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.09 -55.78 30.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.87 -68.66 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.415 ' HG ' ' CD2' ' A' ' 30' ' ' LEU . 6.7 tp -41.25 -51.02 3.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 90' ' ' LYS . 0.2 OUTLIER -50.89 -58.72 5.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 89' ' ' GLN . 8.7 mttm -38.49 -53.7 1.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -47.4 -68.78 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.578 ' CH2' ' HB1' ' A' ' 55' ' ' ALA . 5.3 t-105 -50.38 -49.84 53.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 108.019 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 94' ' ' GLN . 3.0 m-80 -44.35 -50.58 9.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 93' ' ' ASN . 22.1 mt-30 -35.21 -43.02 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 110.346 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 96.98 31.58 6.88 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.467 ' CA ' ' HD3' ' A' ' 26' ' ' LYS . . . -64.07 -171.28 2.18 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -97.21 -44.55 6.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 0.751 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -142.35 162.73 34.73 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.419 HG23 ' CZ3' ' A' ' 92' ' ' TRP . 1.9 tt -131.27 129.42 62.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -96.91 108.9 21.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 95.2 mt -96.74 125.15 40.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 19.1 t -100.67 100.72 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.469 ' CG2' ' HB3' ' A' ' 66' ' ' ASP . 1.3 p -134.83 140.84 44.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.436 ' N ' HG22 ' A' ' 103' ' ' VAL . . . -71.88 168.96 16.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 41.4 t -90.59 151.28 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 43.1 t -178.54 117.78 0.24 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 108.282 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 153.44 41.93 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.503 1.791 . . . . 0.0 111.045 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 111.5 3.34 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.531 1.806 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -133.62 -51.95 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 66.02 111.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -177.81 95.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -156.04 110.26 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -166.29 110.81 0.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -165.58 74.09 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 179.93 120.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.2 t -65.75 -10.11 34.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.44 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 50.27 74.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.979 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.7 p -72.75 166.83 22.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 0.763 . . . . 0.0 110.024 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -109.28 145.46 35.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.93 -125.03 4.14 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.112 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -127.61 -164.58 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 0.787 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 49.75 59.6 4.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.1 t -167.75 -52.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 110.413 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 mpp? -51.53 -34.66 37.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.966 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -76.85 163.08 27.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 0.0 111.042 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.88 167.96 28.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.02 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -34.01 4.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.461 1.769 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -89.26 19.69 4.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -117.27 -52.46 2.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.423 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 4.5 pt -76.8 -57.89 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.411 ' N ' ' CG1' ' A' ' 14' ' ' ILE . . . 62.93 -128.81 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.02 28.39 12.95 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 7.1 mttp -69.44 168.01 15.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.763 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -128.27 89.46 2.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -117.09 149.78 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -129.46 176.43 7.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 tp -123.26 121.55 36.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.7 mt -111.38 122.15 47.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.604 ' NH2' ' CH2' ' A' ' 98' ' ' TRP . 0.0 OUTLIER -93.88 125.31 38.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 110.324 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 99' ' ' ILE . 59.7 mt -109.5 155.59 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.77 149.51 21.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.557 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 11.2 mttt -101.39 83.96 2.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -123.91 131.28 53.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.17 -80.03 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.485 1.116 . . . . 0.0 111.055 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -158.69 175.88 13.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 0.742 . . . . 0.0 110.001 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.537 HD12 ' CZ3' ' A' ' 92' ' ' TRP . 26.6 tp -101.26 -38.16 8.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 41.37 64.9 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.467 ' CD1' HG11 ' A' ' 47' ' ' VAL . 47.1 tp -124.53 141.64 51.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -107.47 148.46 29.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' A' ' 47' ' ' VAL . 46.2 mt -130.43 157.46 42.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.455 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 21.2 pt-20 -155.9 152.87 28.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.93 -144.65 16.72 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.474 ' O ' ' C ' ' A' ' 38' ' ' VAL . . . 64.4 -161.72 38.08 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.525 ' CG1' ' N ' ' A' ' 39' ' ' ASP . 1.9 p 34.72 -149.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 109.347 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.525 ' N ' ' CG1' ' A' ' 38' ' ' VAL . 5.7 m-20 -89.64 50.98 1.99 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.475 ' CB ' ' CD ' ' A' ' 41' ' ' PRO . 0.9 OUTLIER -93.96 176.92 2.14 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 109.992 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 40' ' ' SER . 18.2 Cg_endo -75.06 -20.83 16.37 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.539 1.81 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.463 ' CG1' ' HG2' ' A' ' 44' ' ' LYS . 54.0 t -73.57 -66.39 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.79 25.77 19.19 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.463 ' HG2' ' CG1' ' A' ' 42' ' ' VAL . 18.5 pttt -171.23 176.09 4.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.5 t -99.63 116.82 43.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.4 m -135.91 133.77 50.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.471 ' HA ' ' CD2' ' A' ' 34' ' ' LEU . 74.8 t -58.92 117.2 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.502 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 44.0 t -70.49 -47.77 58.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.64 132.79 2.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 109.256 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.464 HG23 ' CB ' ' A' ' 56' ' ' ALA . 2.6 p -103.39 99.05 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -52.6 121.06 6.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -50.39 -23.06 2.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.31 49.33 3.22 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -145.95 177.46 24.31 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.483 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -75.47 -40.83 56.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.736 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.464 ' CB ' HG23 ' A' ' 50' ' ' VAL . . . -41.95 -59.98 1.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -54.62 -42.57 71.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.39 -49.6 44.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.278 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.448 ' NE2' ' O ' ' A' ' 23' ' ' ARG . 49.6 t-80 -50.31 -63.79 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.602 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.18 79.27 1.27 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.54 1.15 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -179.86 -56.89 0.08 OUTLIER Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.3 p -91.38 119.65 39.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 0.746 . . . . 0.0 109.35 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.9 m -123.78 -161.17 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.502 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.5 OUTLIER -74.98 138.48 42.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 104.86 -21.76 35.39 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.467 1.105 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.488 ' HB3' ' CG1' ' A' ' 103' ' ' VAL . 0.5 OUTLIER -52.32 130.8 31.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 109.266 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.409 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 2.2 mt-10 -78.24 98.87 6.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.7 mm -77.68 136.47 24.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 17.2 mtm -131.92 -46.32 0.94 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.097 . . . . 0.0 110.996 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -130.04 146.65 51.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 37.5 mt -125.29 107.99 19.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 63.22 15.08 8.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 120.19 -52.71 0.71 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.24 136.15 25.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 0.748 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.5 mt -78.35 133.38 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.436 ' CA ' ' HB2' ' A' ' 79' ' ' TYR . 15.2 m -123.36 22.93 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 28.9 p -59.36 -55.06 39.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.104 . . . . 0.0 110.404 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -103.04 35.58 2.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.436 ' HB2' ' CA ' ' A' ' 76' ' ' VAL . 0.3 OUTLIER -96.21 147.14 24.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.118 . . . . 0.0 110.999 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.46 HG21 ' CB ' ' A' ' 38' ' ' VAL . 2.6 p -89.61 157.05 18.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.434 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.455 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 3.6 mt -40.79 -63.03 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.75 -57.88 5.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.67 -68.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -54.46 -64.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 84' ' ' ALA . 11.0 mt-10 -37.47 -56.13 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 87' ' ' ALA . . . -63.16 -59.22 5.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 86' ' ' ALA . . . -40.29 -67.12 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 39.4 tp -40.84 -60.05 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -48.95 -58.93 4.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 93' ' ' ASN . 20.4 mttt -41.16 -65.58 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -42.07 -44.21 3.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.557 ' CZ2' ' HA ' ' A' ' 26' ' ' LYS . 10.8 t-105 -65.29 -47.03 78.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 107.98 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 90' ' ' LYS . 47.8 m-80 -59.0 -46.2 88.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 93' ' ' ASN . 14.5 mt-30 -37.13 -54.74 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 96' ' ' GLY . . . 142.3 -99.58 0.24 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.544 1.153 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 95' ' ' GLY . . . 52.2 172.81 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -97.78 -43.9 6.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 0.734 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.604 ' CH2' ' NH2' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -141.39 156.09 45.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 108.026 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 24' ' ' ILE . 1.9 tt -112.11 156.64 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -109.62 134.06 52.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 58.4 mt -131.83 117.08 18.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 86.7 t -99.13 98.35 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.488 ' CG1' ' HB3' ' A' ' 66' ' ' ASP . 41.8 t -114.64 147.97 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.461 ' N ' HG13 ' A' ' 103' ' ' VAL . . . -81.81 147.59 29.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 36.3 t -68.76 153.1 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 42.2 t -148.5 120.03 4.36 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 108.293 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 161.82 38.15 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.526 1.803 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 110.93 3.21 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.493 1.786 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -132.05 -52.98 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 65.45 116.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.331 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -177.86 118.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -160.05 -52.67 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 45.17 91.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -157.23 87.28 0.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.255 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.4 tp -118.07 -108.32 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 11.0 t -160.78 127.45 4.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.38 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -37.69 -39.43 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 111.06 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 8.3 p90 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.954 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t -89.78 89.45 7.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 110.004 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 64.78 70.82 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.281 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.85 147.2 5.96 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.41 -67.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 55.01 23.97 5.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.404 1.065 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.5 p -113.79 -54.8 2.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 110.37 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.4 mtm -41.63 -52.96 3.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.443 ' CE1' ' HB3' ' A' ' 69' ' ' MET . 36.4 m-85 -69.31 158.96 34.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.03 160.7 10.68 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.983 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -10.84 21.36 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 0.8 OUTLIER -110.36 -2.26 16.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.301 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -103.88 7.59 36.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.254 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 17' ' ' LYS . 2.6 pt -131.48 -45.26 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 14' ' ' ILE . . . -39.76 108.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.26 -47.41 1.09 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.13 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 14' ' ' ILE . 0.6 OUTLIER -48.76 145.98 3.44 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 0.766 . . . . 0.0 109.25 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -102.2 86.13 2.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.7 t -97.31 133.68 38.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.02 122.08 27.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 tp -81.91 107.19 14.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.4 mt -97.71 153.15 18.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -126.17 101.65 6.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.266 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.495 HG12 ' CG ' ' A' ' 59' ' ' HIS . 26.4 mt -85.3 137.92 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.1 145.5 37.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.562 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 3.3 mttp -95.87 85.51 4.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.1 OUTLIER -127.31 136.44 51.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.12 -79.95 0.04 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 27' ' ' GLU . 1.1 p -158.34 -170.04 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.79 . . . . 0.0 109.946 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.571 HD12 ' CZ3' ' A' ' 92' ' ' TRP . 48.3 tp -96.95 -61.11 1.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.465 ' OD1' ' CD2' ' A' ' 51' ' ' TYR . 2.0 t0 51.68 83.9 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.417 ' CD1' HG23 ' A' ' 50' ' ' VAL . 20.3 tp -149.46 154.33 38.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -121.21 148.03 44.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.0 mt -130.33 156.03 45.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.347 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -155.54 145.57 21.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.253 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.69 -147.57 18.65 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.479 ' O ' ' C ' ' A' ' 38' ' ' VAL . . . 63.05 -156.99 40.28 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.548 ' CG1' ' N ' ' A' ' 39' ' ' ASP . 2.1 p 34.13 -148.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.548 ' N ' ' CG1' ' A' ' 38' ' ' VAL . 6.4 m-20 -88.17 51.31 2.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 p -89.77 166.32 21.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -6.46 18.1 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.483 ' CG1' ' HG3' ' A' ' 44' ' ' LYS . 25.1 t -91.38 -58.96 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.31 29.43 27.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.488 ' HD2' ' CG1' ' A' ' 46' ' ' VAL . 0.6 OUTLIER -166.93 173.18 9.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.777 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.8 t -96.52 128.01 48.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.488 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 17.2 m -139.57 134.77 39.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.1 t -58.04 118.14 2.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.258 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.496 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 28.8 t -72.48 -49.27 34.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.986 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.99 145.72 5.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.417 HG23 ' CD1' ' A' ' 32' ' ' LEU . 51.9 t -102.68 89.68 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.465 ' CD2' ' OD1' ' A' ' 31' ' ' ASP . 15.6 m-85 -45.41 121.62 3.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.048 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -64.91 147.78 52.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.39 -40.95 2.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -59.62 -172.33 0.57 Allowed Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.573 ' HB2' ' CH2' ' A' ' 92' ' ' TRP . . . -81.14 -40.83 23.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.79 -54.56 11.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.98 -46.66 88.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -54.95 24.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.495 ' CG ' HG12 ' A' ' 24' ' ' ILE . 22.8 t-80 -41.09 -64.66 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.634 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.46 49.35 5.51 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -124.06 -63.54 0.19 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.9 p -95.9 140.43 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.776 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.5 m -116.31 -164.7 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.496 ' CD ' ' O ' ' A' ' 48' ' ' SER . 1.6 ttpp -84.68 152.35 23.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 67.85 42.54 86.05 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.497 ' HB3' ' CG2' ' A' ' 103' ' ' VAL . 0.4 OUTLIER -93.93 -174.06 3.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.423 ' C ' ' CG2' ' A' ' 103' ' ' VAL . 5.9 mt-10 -114.91 73.84 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.7 mm -72.56 148.03 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.487 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 78.3 mtp -145.16 -46.89 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -129.32 141.16 51.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.257 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 74' ' ' LYS . 73.6 mt -119.12 121.21 66.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 43.41 27.53 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.425 ' N ' ' C ' ' A' ' 71' ' ' ILE . . . 88.18 39.01 7.04 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.517 1.136 . . . . 0.0 111.038 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' ILE . 0.0 OUTLIER -131.58 95.73 3.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 30.6 mt -44.08 125.41 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' A' ' 69' ' ' MET . 27.0 m -122.88 20.56 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 62.3 p -56.61 -67.78 0.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.373 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -94.92 42.45 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.448 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.3 OUTLIER -104.56 148.51 26.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.477 HG21 ' CB ' ' A' ' 38' ' ' VAL . 3.3 p -93.74 158.73 15.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.449 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 85' ' ' GLU . 4.1 mt -39.94 -62.56 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -45.47 -64.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.448 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -39.67 -69.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -52.96 -65.96 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 84' ' ' ALA . 7.4 mt-10 -36.48 -53.4 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 110.343 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 87' ' ' ALA . . . -64.91 -58.65 5.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 86' ' ' ALA . . . -40.19 -66.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.169 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 32.7 tp -40.8 -61.05 1.02 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 92' ' ' TRP . 39.5 mm-40 -48.96 -62.61 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 89' ' ' GLN . 33.8 mttt -39.17 -45.73 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.5 -51.56 66.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.573 ' CH2' ' HB2' ' A' ' 55' ' ' ALA . 8.1 t-105 -63.86 -46.25 85.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 108.018 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 94' ' ' GLN . 3.3 m-80 -46.43 -43.6 16.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 93' ' ' ASN . 19.2 mt-30 -35.72 -52.2 0.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 97.48 62.64 0.9 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.449 1.093 . . . . 0.0 111.047 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -104.6 179.37 24.42 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -83.57 -43.86 15.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 0.777 . . . . 0.0 109.338 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -142.28 160.53 40.07 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.423 ' HB ' ' NZ ' ' A' ' 26' ' ' LYS . 5.4 tt -128.39 153.63 38.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -110.31 148.22 32.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 36.9 mt -144.06 113.02 6.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 60.1 t -87.56 104.28 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.497 ' CG2' ' HB3' ' A' ' 66' ' ' ASP . 2.2 p -144.98 141.28 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.42 ' N ' HG23 ' A' ' 103' ' ' VAL . . . -63.61 177.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 38.8 t -91.8 153.82 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 179.13 117.17 0.21 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 108.314 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.425 ' HG2' ' CB ' ' A' ' 110' ' ' GLU . 18.1 Cg_endo -75.04 147.7 34.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.478 1.778 . . . . 0.0 110.957 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.436 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 18.2 Cg_endo -75.0 134.19 17.5 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.79 . . . . 0.0 110.957 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.436 ' CB ' ' O ' ' A' ' 108' ' ' PRO . 0.7 OUTLIER 83.26 6.89 0.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.425 ' CB ' ' HG2' ' A' ' 107' ' ' PRO . 1.1 mm-40 -108.96 35.75 3.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -130.99 157.88 41.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -149.58 166.1 30.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.264 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -88.41 151.06 22.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.97 -37.63 58.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.437 ' CG ' ' O ' ' A' ' 115' ' ' LEU . 0.9 OUTLIER 49.78 44.56 24.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 19.6 p -137.01 89.83 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.391 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 58.86 73.72 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 111.037 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 0.0 110.977 -179.931 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -91.23 147.57 22.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 109.993 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -148.7 -55.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.328 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.07 -57.36 2.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.549 1.156 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 66.92 115.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 109.327 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -179.37 -46.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.1 t -61.17 -18.08 56.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.374 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.1 ttm -73.18 -23.9 60.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.524 ' CE1' ' HE1' ' A' ' 69' ' ' MET . 89.2 m-85 -102.6 155.92 17.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.67 153.33 52.52 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.0 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -13.91 21.3 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.484 1.781 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.79 16.49 26.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -117.5 -54.2 2.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.2 pt -66.34 -39.81 85.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.31 115.07 0.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.38 -47.26 1.06 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -75.19 176.08 7.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -130.24 86.62 2.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.244 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.8 t -74.12 122.9 28.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 103' ' ' VAL . 11.4 mtt-85 -131.38 120.93 23.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.432 1.082 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.4 tp -87.19 129.67 34.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.4 mt -118.45 117.9 30.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.43 ' NH2' ' CD2' ' A' ' 98' ' ' TRP . 0.2 OUTLIER -85.9 124.38 32.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 51.2 mt -110.24 150.27 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -86.93 142.38 28.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.505 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 8.1 mttt -92.22 89.16 6.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.5 OUTLIER -128.08 138.78 52.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.2 -82.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.523 ' O ' ' CZ2' ' A' ' 92' ' ' TRP . 1.5 p -154.19 -164.31 1.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.765 . . . . 0.0 110.005 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.532 ' HB2' ' CD2' ' A' ' 92' ' ' TRP . 26.2 tp -104.37 -63.3 1.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 52.36 84.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.348 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.9 tp -146.07 134.36 21.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.82 139.04 39.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 70.7 mt -122.39 167.0 13.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -156.02 153.11 28.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.433 ' HA2' ' CB ' ' A' ' 40' ' ' SER . . . 74.36 -152.83 45.51 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 111.045 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . 97.36 -64.02 0.95 Allowed Glycine 0 CA--C 1.531 1.062 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.535 ' CG1' ' N ' ' A' ' 39' ' ' ASP . 4.4 p -69.33 -143.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.567 0.804 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.535 ' N ' ' CG1' ' A' ' 38' ' ' VAL . 21.2 m-20 -83.03 50.12 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.517 ' CB ' ' CD ' ' A' ' 41' ' ' PRO . 0.5 OUTLIER -92.75 179.16 1.38 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.517 ' CD ' ' CB ' ' A' ' 40' ' ' SER . 18.2 Cg_endo -74.96 -7.35 19.11 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.541 1.811 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.0 t -93.27 -51.31 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.341 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.77 -30.91 5.84 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.421 ' NZ ' ' OE1' ' A' ' 67' ' ' GLU . 14.3 mtmt -113.04 -175.02 2.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.1 t -102.34 122.43 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 23.2 m -136.66 134.99 49.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.437 HG13 ' CG2' ' A' ' 50' ' ' VAL . 52.6 t -58.42 133.0 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.7 t -89.75 -40.12 12.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -164.25 134.77 4.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.437 ' CG2' HG13 ' A' ' 47' ' ' VAL . 83.7 t -103.41 90.18 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -46.83 122.19 4.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.439 ' HA ' ' CB ' ' A' ' 57' ' ' GLU . 41.0 tt0 -56.85 -42.73 80.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.89 -13.0 60.87 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.73 161.0 45.72 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.568 ' HB2' ' CH2' ' A' ' 92' ' ' TRP . . . -75.55 -14.4 60.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.79 -45.83 70.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.439 ' CB ' ' HA ' ' A' ' 52' ' ' GLU . 4.6 tm-20 -68.48 -48.66 63.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.8 mtt-85 -41.72 -34.79 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -73.92 -63.13 1.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.604 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 107.94 -109.12 2.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.88 -89.13 0.07 OUTLIER Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.4 t -130.64 148.32 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.758 . . . . 0.0 109.35 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.4 m -86.33 -160.18 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.097 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.83 161.49 26.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.19 -17.62 58.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 42.3 p-10 -51.29 160.55 0.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.421 ' OE1' ' NZ ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -106.64 104.0 13.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 3.9 mm -79.51 153.07 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.248 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.524 ' HE1' ' CE1' ' A' ' 9' ' ' PHE . 71.3 mtp -142.99 -46.84 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -135.94 139.17 43.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 69.3 mt -117.51 111.6 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.445 ' ND2' ' CB ' ' A' ' 91' ' ' ALA . 2.5 m120 58.41 27.99 16.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 105.82 -46.76 1.13 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.48 133.36 35.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 0.734 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.466 HG23 ' CG2' ' A' ' 77' ' ' THR . 10.8 mt -77.73 131.01 35.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.512 ' HA ' ' CG ' ' A' ' 79' ' ' TYR . 15.2 m -123.8 23.07 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.466 ' CG2' HG23 ' A' ' 75' ' ' ILE . 36.2 p -52.17 -58.96 5.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.375 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -107.75 38.66 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.512 ' CG ' ' HA ' ' A' ' 76' ' ' VAL . 0.3 OUTLIER -91.09 150.33 21.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.477 HG22 ' CG2' ' A' ' 38' ' ' VAL . 5.1 p -94.46 159.03 15.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.354 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 85' ' ' GLU . 3.1 mt -41.33 -62.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.86 -63.93 0.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.455 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 2.3 mm-40 -40.02 -69.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.317 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -52.48 -66.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 84' ' ' ALA . 9.1 mt-10 -36.52 -57.27 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 87' ' ' ALA . . . -61.39 -62.59 1.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 86' ' ' ALA . . . -39.67 -64.81 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.471 ' HG ' ' CD2' ' A' ' 30' ' ' LEU . 5.8 tp -44.59 -60.34 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 92' ' ' TRP . 40.5 mm-40 -49.94 -56.98 8.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -39.8 -56.52 1.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.445 ' CB ' ' ND2' ' A' ' 72' ' ' ASN . . . -47.28 -45.71 24.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 55' ' ' ALA . 7.2 t-105 -67.81 -48.96 64.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 108.01 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 94' ' ' GLN . 5.2 m-80 -52.58 -45.4 66.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 93' ' ' ASN . 15.3 mt-30 -38.18 -38.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.77 97.49 1.1 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.494 1.121 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -139.2 -178.08 16.12 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.55 ' HB3' ' CD2' ' A' ' 98' ' ' TRP . 56.7 m-20 -91.14 -45.22 8.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.55 ' CD2' ' HB3' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -136.02 161.23 36.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 108.021 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.439 ' HB ' ' CE ' ' A' ' 26' ' ' LYS . 6.5 tt -136.41 142.07 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -101.8 142.27 33.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 46.3 mt -137.81 115.02 10.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 77.8 t -84.2 115.69 26.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 20' ' ' ARG . 2.6 t -139.0 158.31 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -95.72 133.41 39.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.6 p -72.26 154.03 7.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 8.5 t -141.36 131.64 13.04 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 108.278 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 172.2 16.82 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.485 1.782 . . . . 0.0 111.027 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 116.74 4.66 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 110.956 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -140.26 -54.98 0.53 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 40.09 41.07 0.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.334 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -161.49 95.84 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.035 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -123.86 166.07 16.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -133.23 -178.04 4.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 54.21 88.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.537 ' N ' ' CD1' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -133.06 -110.17 0.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.52 ' O ' ' CD1' ' A' ' 117' ' ' PHE . 0.5 OUTLIER -138.29 -43.14 0.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.412 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.52 ' CD1' ' O ' ' A' ' 116' ' ' THR . 30.4 m-85 -147.93 105.39 3.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.547 ' C ' ' CD1' ' A' ' 118' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 54.15 95.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 0.791 . . . . 0.0 109.971 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -88.58 102.08 14.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.339 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.26 127.19 2.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -118.58 -161.51 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.84 45.72 5.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.1 p -153.48 -47.96 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 110.397 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -44.37 -53.22 7.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -54.14 -167.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 111.04 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.3 159.29 59.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -11.24 21.44 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.499 1.789 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -106.94 11.2 30.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.268 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -112.49 -50.94 2.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.2 pt -69.22 -40.0 79.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.86 124.21 12.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.37 -34.24 4.06 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -68.99 155.2 40.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 0.786 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.42 85.69 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.4 m -98.11 162.11 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.6 mtt180 -131.61 123.98 28.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 110.293 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.7 tp -83.54 114.61 21.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.1 mt -100.4 145.5 28.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.481 ' HD3' ' CG ' ' A' ' 98' ' ' TRP . 17.1 ttm105 -120.93 111.76 17.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 17.1 mt -96.9 148.73 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -90.69 145.39 24.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.561 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 3.1 mttt -88.79 89.74 8.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -130.83 126.85 37.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.25 -71.33 0.09 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.457 1.098 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 27' ' ' GLU . 3.6 m 177.29 147.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.777 . . . . 0.0 110.026 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.489 ' HB2' ' CE3' ' A' ' 92' ' ' TRP . 9.3 tp -64.41 -60.48 3.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 58.06 68.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.7 tp -124.95 149.43 47.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -113.68 151.98 31.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.414 ' CD2' ' HA ' ' A' ' 47' ' ' VAL . 71.7 mt -133.21 156.78 46.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.467 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 17.6 pt-20 -152.51 150.97 30.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.356 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 109.61 -146.16 16.91 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 38' ' ' VAL . . . 74.58 -166.67 54.83 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.452 ' O ' ' O ' ' A' ' 37' ' ' GLY . 2.6 m 39.98 -162.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.568 0.805 . . . . 0.0 109.348 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -83.17 50.46 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.472 ' CB ' ' CD ' ' A' ' 41' ' ' PRO . 1.0 OUTLIER -85.04 176.51 3.62 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 40' ' ' SER . 18.3 Cg_endo -74.98 -10.49 21.26 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.482 1.78 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.45 ' CG1' ' HG2' ' A' ' 44' ' ' LYS . 68.8 t -88.36 -57.27 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.241 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.9 25.34 58.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.45 ' HG2' ' CG1' ' A' ' 42' ' ' VAL . 18.3 pttt -168.11 169.16 11.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.9 t -93.46 130.59 42.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.9 m -143.27 133.59 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.414 ' HA ' ' CD2' ' A' ' 34' ' ' LEU . 73.8 t -59.09 117.55 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.517 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 8.5 t -70.62 -48.11 56.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.991 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.64 145.56 5.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.45 HG21 ' CB ' ' A' ' 56' ' ' ALA . 4.1 p -114.8 93.14 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.358 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -47.55 114.36 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.956 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -48.73 -23.25 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.265 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.03 43.87 3.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.099 . . . . 0.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -138.36 -166.15 10.56 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.548 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -90.39 -42.54 10.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 109.366 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.45 ' CB ' HG21 ' A' ' 50' ' ' VAL . . . -41.55 -56.08 2.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -58.94 -50.14 75.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.68 -47.26 20.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -59.26 -59.47 5.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.601 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.15 108.59 0.67 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.508 1.13 . . . . 0.0 110.96 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 162.58 -62.3 0.27 Allowed Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -87.3 124.52 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.444 0.732 . . . . 0.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.5 m -112.69 -165.03 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.517 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -89.54 151.68 21.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.4 44.81 57.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.83 179.14 4.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.585 0.815 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.493 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 0.0 OUTLIER -102.54 97.79 7.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.315 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.0 mm -88.75 150.39 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.408 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 6.4 mtm -146.07 -54.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -129.73 144.47 51.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 60.4 mt -120.49 109.58 26.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 59.03 25.1 13.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 0.0 109.266 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 107.44 -35.35 5.07 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.463 1.102 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.3 122.5 15.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 15.1 mt -73.12 128.08 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.552 HG11 ' CD2' ' A' ' 79' ' ' TYR . 24.7 m -123.89 21.72 4.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 51.2 p -66.0 -14.71 62.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -139.86 26.99 2.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.552 ' CD2' HG11 ' A' ' 76' ' ' VAL . 0.9 OUTLIER -93.17 151.04 20.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.967 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.445 ' CG2' HG11 ' A' ' 38' ' ' VAL . 1.5 p -96.16 158.12 15.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 5.8 mt -38.78 -63.98 0.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 83' ' ' GLU . . . -46.68 -67.29 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 82' ' ' ALA . 12.9 mt-10 -38.9 -69.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -50.58 -65.83 0.49 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 84' ' ' ALA . 5.6 mt-10 -35.9 -53.52 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.327 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.37 -51.22 61.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 88' ' ' LEU . . . -48.4 -64.25 0.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 87' ' ' ALA . 41.7 tp -40.33 -56.8 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -51.03 -55.23 18.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 93' ' ' ASN . 20.4 mttp -43.54 -65.7 0.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.429 ' HB3' ' CD1' ' A' ' 99' ' ' ILE . . . -39.89 -37.58 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.561 ' CZ2' ' HA ' ' A' ' 26' ' ' LYS . 24.2 t-105 -75.34 -50.07 17.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 107.99 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 90' ' ' LYS . 56.6 m-80 -55.36 -42.47 73.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 93' ' ' ASN . 24.8 mt-30 -35.81 -46.35 0.44 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.441 ' O ' ' NZ ' ' A' ' 26' ' ' LYS . . . 120.67 -91.65 0.49 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 95' ' ' GLY . . . 44.77 -170.57 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -98.23 -44.33 6.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 0.759 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.481 ' CG ' ' HD3' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -142.02 171.03 14.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 107.987 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.429 ' CD1' ' HB3' ' A' ' 91' ' ' ALA . 12.1 tt -118.99 160.5 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -120.56 135.9 54.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 53.7 mt -131.71 120.81 23.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 15.7 t -90.41 111.53 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 67' ' ' GLU . 3.4 t -134.01 145.37 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -87.89 154.52 20.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 38.3 t -72.25 151.78 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 42.2 t -150.15 118.58 3.65 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.279 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 164.12 33.94 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.463 1.77 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 119.23 5.56 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 0.0 110.973 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.1 -46.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 63.93 114.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -40.86 139.09 0.91 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.71 127.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.51 140.61 29.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -146.82 90.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.474 ' O ' ' CD2' ' A' ' 115' ' ' LEU . 0.9 OUTLIER -90.62 44.48 1.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 39.2 p -137.31 100.9 4.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.433 ' O ' ' CD1' ' A' ' 118' ' ' PHE . 1.6 m-85 -53.47 96.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.433 ' CD1' ' O ' ' A' ' 117' ' ' PHE . 5.7 m-85 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 m 63.4 143.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 0.764 . . . . 0.0 110.014 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.8 158.05 36.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.57 -123.85 3.85 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.518 1.136 . . . . 0.0 110.957 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.32 67.62 7.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -116.34 43.47 2.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.152 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.5 p -122.97 -49.77 1.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.385 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -43.27 -54.54 4.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -72.62 140.55 48.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.1 170.66 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.005 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -36.21 2.65 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.587 1.835 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.38 12.14 10.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.315 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -108.27 -12.54 15.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.4 pt -125.34 -46.58 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.65 124.55 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.06 -26.95 20.5 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -88.1 168.22 12.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -126.73 92.02 3.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.3 p -119.05 153.14 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -136.01 178.13 7.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.331 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.8 tp -129.13 121.94 28.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.8 mt -107.18 144.03 34.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.31 117.56 30.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.441 HD12 ' CD1' ' A' ' 101' ' ' LEU . 5.5 mt -99.37 154.92 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.7 ttpp -89.98 147.45 23.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.537 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 19.4 mttt -97.12 93.06 6.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -130.02 124.39 32.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.1 -78.32 0.29 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -156.21 -172.93 4.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 110.031 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.523 ' HB2' ' CD2' ' A' ' 92' ' ' TRP . 19.1 tp -91.33 -69.36 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.64 83.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.42 ' CD1' HG23 ' A' ' 50' ' ' VAL . 11.0 tp -149.18 130.45 14.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.99 137.28 32.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.1 mt -124.7 157.87 34.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.411 ' OE1' ' CB ' ' A' ' 48' ' ' SER . 12.0 pt-20 -154.49 157.07 37.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.355 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.422 ' HA3' HG13 ' A' ' 42' ' ' VAL . . . 97.79 -135.84 12.41 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.521 ' O ' ' CG1' ' A' ' 38' ' ' VAL . . . 54.98 170.77 0.06 OUTLIER Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.521 ' CG1' ' O ' ' A' ' 37' ' ' GLY . 2.4 p 55.22 -158.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.466 ' N ' HG12 ' A' ' 38' ' ' VAL . 73.9 m-20 -70.15 56.8 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.59 1.181 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.44 ' OG ' ' O ' ' A' ' 37' ' ' GLY . 6.4 p -97.38 161.44 26.0 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.058 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.2 Cg_endo -75.0 -4.77 15.9 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.467 1.772 . . . . 0.0 110.99 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.471 ' CG2' ' HG3' ' A' ' 44' ' ' LYS . 1.5 p -88.77 -38.15 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.92 3.95 88.22 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.501 ' HD2' ' CG1' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -155.0 -171.26 3.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 0.765 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.9 t -104.31 139.12 26.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.501 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 3.6 m -146.36 133.74 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 82.1 t -61.48 127.29 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.493 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 29.1 t -81.96 -46.39 14.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.39 145.35 5.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.454 ' CG1' ' HB2' ' A' ' 56' ' ' ALA . 53.9 t -106.13 89.69 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -40.18 123.23 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -66.5 -13.65 61.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -100.3 63.45 0.62 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -167.9 -164.29 23.33 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.559 ' HB1' ' CZ2' ' A' ' 92' ' ' TRP . . . -91.29 -36.42 13.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.454 ' HB2' ' CG1' ' A' ' 50' ' ' VAL . . . -45.43 -60.05 2.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -50.45 -54.1 24.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.81 -59.11 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -47.56 -60.79 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.576 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.59 -140.46 24.35 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.128 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.15 -57.91 4.0 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 17.1 m -117.53 168.67 8.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 0.742 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 33.7 m -131.98 -173.84 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.493 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -59.85 159.66 8.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.17 -23.5 31.28 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.548 1.155 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.469 ' HB3' ' CG1' ' A' ' 103' ' ' VAL . 1.5 m-20 -40.17 146.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -88.56 93.01 9.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.463 HD11 ' CG2' ' A' ' 103' ' ' VAL . 22.1 mm -70.94 149.39 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.8 mtm -146.2 -54.83 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -125.71 130.83 52.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 83.9 mt -109.53 107.59 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 58.4 29.89 18.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 103.21 -41.71 2.06 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.454 1.097 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.71 128.1 34.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 12.5 mt -74.12 125.53 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.441 ' CA ' ' HB2' ' A' ' 79' ' ' TYR . 13.3 m -123.69 23.1 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 32.0 p -54.89 -62.91 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.42 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -101.59 39.23 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.455 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -93.27 157.95 16.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.989 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.453 HG23 ' CB ' ' A' ' 38' ' ' VAL . 3.0 p -99.17 158.57 15.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.387 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 85' ' ' GLU . 4.6 mt -40.94 -62.65 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 83' ' ' GLU . . . -47.26 -66.86 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.36 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.455 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 66.4 mt-10 -37.49 -69.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -52.31 -66.24 0.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 81' ' ' LEU . 7.7 mt-10 -37.69 -68.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.339 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.58 -61.2 2.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 83' ' ' GLU . . . -40.16 -67.53 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 18.6 tp -40.54 -50.46 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 92' ' ' TRP . 4.3 mm-40 -56.33 -57.68 11.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 89' ' ' GLN . 52.3 mttt -38.25 -52.29 1.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.457 ' O ' ' NZ ' ' A' ' 26' ' ' LYS . . . -51.51 -50.18 60.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.56 ' CZ3' HG21 ' A' ' 99' ' ' ILE . 7.7 t-105 -64.43 -48.22 76.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 107.999 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 94' ' ' GLN . 3.2 m-80 -46.42 -44.51 17.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 93' ' ' ASN . 20.3 mt-30 -37.41 -45.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 95.84 42.18 3.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.522 1.139 . . . . 0.0 110.964 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -78.45 179.87 51.64 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -84.67 -43.59 14.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 109.324 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -141.56 172.79 12.2 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.56 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 4.0 tt -141.39 133.88 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.62 136.7 35.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.441 ' CD1' HD12 ' A' ' 24' ' ' ILE . 75.7 mt -129.25 119.64 24.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 38.5 t -91.71 117.62 35.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 66' ' ' ASP . 35.9 t -139.33 147.74 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 109.247 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.44 ' N ' HG12 ' A' ' 103' ' ' VAL . . . -87.14 148.21 25.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 52.9 t -72.8 151.27 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 7.0 t -137.31 124.28 13.77 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 108.311 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 150.0 37.35 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.787 . . . . 0.0 110.97 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 121.12 6.37 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.52 1.8 . . . . 0.0 110.969 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.4 pttm -115.58 -49.9 2.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -117.75 -131.2 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 110.333 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -161.16 -47.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 60.79 149.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -60.47 108.01 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -118.55 72.68 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.5 tp -121.43 -116.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.452 ' O ' ' CB ' ' A' ' 117' ' ' PHE . 4.9 t -158.72 -159.14 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 0.0 110.429 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.452 ' CB ' ' O ' ' A' ' 116' ' ' THR . 0.3 OUTLIER 71.9 4.75 5.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.947 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 7.2 p90 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 111.035 179.927 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 m -149.06 149.32 30.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 110.042 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -158.43 123.39 4.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 110.286 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.07 -94.94 1.19 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 65.2 140.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 73.79 -67.55 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.3 t -60.41 -45.75 92.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.411 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.28 -38.55 19.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -97.48 172.2 7.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.51 155.82 73.66 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -16.08 20.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.47 1.774 . . . . 0.0 110.959 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.78 15.81 28.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -117.23 -55.7 2.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.6 pt -66.43 -44.45 90.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.34 136.73 12.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.16 -42.08 2.76 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -79.48 172.54 13.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 0.739 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.39 98.42 5.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.402 ' CG2' ' N ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -132.07 158.05 43.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.409 ' HG3' ' CG2' ' A' ' 105' ' ' VAL . 6.9 mtp180 -144.73 175.25 10.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.273 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.3 tp -114.9 117.56 31.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.262 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.428 ' CD1' HG22 ' A' ' 62' ' ' VAL . 75.7 mt -103.33 136.62 42.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.436 ' O ' ' NE2' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -112.17 125.22 53.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.302 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.41 HG12 ' CB ' ' A' ' 59' ' ' HIS . 21.7 mt -105.83 153.71 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -97.9 144.76 27.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.563 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 1.9 mttt -90.08 87.83 7.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -126.92 118.19 24.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.72 -76.15 1.76 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -168.89 172.26 7.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 109.986 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.518 ' HB2' ' CD2' ' A' ' 92' ' ' TRP . 36.5 tp -79.08 -85.3 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.584 1.178 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 69.52 87.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.349 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 30.3 tp -147.13 130.67 16.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.12 130.82 38.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.2 mt -119.03 157.25 28.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -156.35 162.51 40.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.327 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.403 ' HA3' HG13 ' A' ' 42' ' ' VAL . . . 92.57 -138.06 13.99 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.532 ' O ' ' CG1' ' A' ' 38' ' ' VAL . . . 54.84 172.01 0.07 OUTLIER Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.532 ' CG1' ' O ' ' A' ' 37' ' ' GLY . 2.6 p 55.52 -158.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.47 ' N ' HG11 ' A' ' 38' ' ' VAL . 11.1 m-20 -70.04 57.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.446 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 9.6 p -100.19 161.55 23.82 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.003 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.446 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.3 Cg_endo -75.03 -10.0 20.98 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.481 ' CG2' ' HG3' ' A' ' 44' ' ' LYS . 1.5 p -82.51 -38.42 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.349 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.29 6.21 87.72 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.481 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -157.17 -171.44 3.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 0.769 . . . . 0.0 109.319 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 43.8 t -105.66 139.58 26.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.448 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 10.3 m -146.44 133.83 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 69.0 t -60.01 123.47 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 t -74.44 -48.41 27.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.994 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.3 147.19 6.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.9 t -104.36 91.4 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -45.85 115.47 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -52.49 -34.79 51.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.95 66.74 3.51 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.81 177.1 41.7 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.574 ' HB3' ' CZ2' ' A' ' 92' ' ' TRP . . . -81.2 -17.27 50.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.21 -51.7 62.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -66.42 -42.77 87.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.86 -52.84 17.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.436 ' NE2' ' O ' ' A' ' 23' ' ' ARG . 22.9 t-80 -46.48 -60.83 2.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.631 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.47 58.65 2.52 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -142.64 -61.33 0.03 OUTLIER Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.428 HG22 ' CD1' ' A' ' 22' ' ' LEU . 2.3 t -89.39 126.5 42.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.6 m -116.48 -163.83 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -82.31 133.28 35.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.02 -16.47 42.73 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.484 ' HB3' ' CG1' ' A' ' 103' ' ' VAL . 0.8 OUTLIER -53.26 141.54 23.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.426 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 13.6 mt-10 -89.29 99.84 12.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.358 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.4 mm -76.87 137.93 21.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.259 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 7.4 mtm -131.73 -44.02 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -135.96 137.89 41.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.492 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 83.5 mt -118.95 107.2 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 71' ' ' ILE . 2.0 t-20 81.21 -52.71 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -175.77 -37.73 0.05 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.15 137.74 57.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.431 0.724 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.2 mt -72.42 129.96 35.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.407 ' HA ' ' CG ' ' A' ' 79' ' ' TYR . 14.9 m -122.36 23.17 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 17.3 p -58.64 -66.05 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.401 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.32 38.19 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.524 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -94.9 160.68 14.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.159 . . . . 0.0 110.988 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.463 HG21 ' CB ' ' A' ' 38' ' ' VAL . 2.8 p -99.78 157.51 16.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 110.399 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 85' ' ' GLU . 7.4 mt -40.89 -63.57 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.96 -62.43 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.524 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 4.6 mm-40 -41.93 -69.53 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -52.6 -65.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 81' ' ' LEU . 7.6 mt-10 -35.7 -66.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.359 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 87' ' ' ALA . . . -55.65 -54.13 47.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 86' ' ' ALA . . . -40.26 -63.19 0.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.453 ' CD1' HD11 ' A' ' 99' ' ' ILE . 27.8 tp -50.14 -50.32 49.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -52.34 -58.25 7.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 91' ' ' ALA . 23.3 mttt -43.46 -65.5 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 90' ' ' LYS . . . -38.77 -59.99 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.574 ' CZ2' ' HB3' ' A' ' 55' ' ' ALA . 13.7 t-105 -54.91 -51.74 65.09 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 94' ' ' GLN . 6.7 m-80 -50.1 -52.85 31.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 93' ' ' ASN . 12.7 mt-30 -35.37 -56.1 0.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.45 ' O ' ' NZ ' ' A' ' 26' ' ' LYS . . . 142.45 -93.9 0.18 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.115 . . . . 0.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 95' ' ' GLY . . . 50.98 175.32 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -97.48 -43.56 7.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.484 ' CA ' ' HD2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -139.37 168.14 20.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 108.0 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.465 HG23 ' CZ3' ' A' ' 92' ' ' TRP . 3.8 tt -127.44 148.04 32.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -105.23 140.71 37.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.132 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 44.9 mt -140.53 115.28 9.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 43.1 t -93.5 108.46 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.484 ' CG1' ' HB3' ' A' ' 66' ' ' ASP . 46.5 t -126.02 147.55 30.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.08 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.462 ' N ' HG11 ' A' ' 103' ' ' VAL . . . -75.9 145.15 40.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 106' ' ' CYS . 77.6 t -69.91 144.43 13.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . 0.416 ' N ' HG12 ' A' ' 105' ' ' VAL . 0.7 OUTLIER -159.14 122.25 2.0 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.143 . . . . 0.0 108.362 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 157.48 42.92 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 110.76 3.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.508 1.794 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -166.91 -45.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 62.86 114.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.231 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.465 ' CE2' ' OD1' ' A' ' 113' ' ' ASP . 0.5 OUTLIER -179.08 123.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -92.96 -47.39 7.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.465 ' OD1' ' CE2' ' A' ' 111' ' ' TYR . 2.1 m-20 61.52 178.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 41.48 74.44 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.33 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.1 tp -119.02 -134.39 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.5 t -129.71 6.18 5.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.437 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -105.97 -43.51 4.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 111.009 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.48 97.47 4.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 109.994 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -54.05 177.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.88 -129.97 2.08 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -150.07 167.96 25.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 0.791 . . . . 0.0 109.249 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 71.15 -63.46 0.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 52.7 p -52.92 -36.97 60.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.4 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.469 ' HG2' ' CD1' ' A' ' 75' ' ' ILE . 2.1 tpp -55.1 -25.99 35.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.087 . . . . 0.0 110.967 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -114.16 173.91 6.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.458 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.2 OUTLIER -89.86 175.64 3.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.022 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.458 ' CD ' ' CB ' ' A' ' 10' ' ' SER . 18.4 Cg_endo -75.04 -38.54 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -84.85 2.48 42.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -102.89 -10.1 19.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 pt -126.61 -59.11 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 63.6 -128.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.95 28.81 6.87 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -80.36 153.17 28.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 0.757 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.511 ' O ' ' CB ' ' A' ' 104' ' ' ALA . 8.3 m-20 -98.93 102.39 14.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.09 111.62 36.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -119.77 136.73 54.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.317 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.3 tp -100.3 128.55 46.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.0 mt -125.5 149.19 48.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.42 118.05 33.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.449 ' CD1' HD11 ' A' ' 101' ' ' LEU . 2.7 mt -98.91 155.14 3.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -90.81 142.97 27.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.533 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 4.9 mttm -92.66 70.72 4.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' SER . 4.5 tp10 -118.23 143.25 46.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.32 -76.31 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' GLU . 2.3 m -173.07 -174.16 1.03 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 0.0 110.028 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.511 ' HB2' ' CD2' ' A' ' 92' ' ' TRP . 31.4 tp -92.96 -82.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 66.58 88.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.425 HD23 ' CD2' ' A' ' 88' ' ' LEU . 5.8 tp -149.14 132.73 16.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.76 137.51 33.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.3 mt -123.97 158.12 32.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -155.79 158.28 37.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.402 ' HA3' HG13 ' A' ' 42' ' ' VAL . . . 97.08 -139.35 14.44 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.452 1.095 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.513 ' O ' ' CG1' ' A' ' 38' ' ' VAL . . . 57.94 173.75 0.37 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.513 ' CG1' ' O ' ' A' ' 37' ' ' GLY . 2.6 p 54.21 -157.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.769 . . . . 0.0 109.251 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.477 ' N ' HG12 ' A' ' 38' ' ' VAL . 6.9 t70 -70.31 57.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.447 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 19.6 p -101.51 161.33 23.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.175 . . . . 0.0 110.022 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.447 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.3 Cg_endo -75.0 -18.63 18.58 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.474 ' CG2' ' HG3' ' A' ' 44' ' ' LYS . 1.7 p -72.62 -39.29 60.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.89 15.24 73.79 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.474 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -162.67 -179.93 7.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 0.743 . . . . 0.0 109.275 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.4 t -100.33 136.29 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.9 m -144.88 134.14 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.6 t -59.39 116.95 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.485 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 47.2 t -70.56 -46.94 62.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.034 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.63 143.53 4.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 92.8 t -101.15 91.29 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.166 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -49.66 123.24 7.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.425 ' HA ' ' CG ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -66.06 160.17 24.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.296 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.06 -49.13 3.01 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.55 -176.89 0.21 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.564 ' HB2' ' CH2' ' A' ' 92' ' ' TRP . . . -75.74 -44.47 41.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.38 -55.74 6.9 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.425 ' CG ' ' HA ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -56.68 -51.85 67.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -51.46 -48.62 62.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 110.249 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -54.55 -64.42 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.648 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.76 -151.15 21.07 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.554 1.159 . . . . 0.0 110.968 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.57 -63.59 0.63 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.5 p -88.72 130.2 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.5 m -120.29 -166.15 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.485 ' CD ' ' O ' ' A' ' 48' ' ' SER . 3.2 ttpp -79.69 142.52 35.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 104.59 -11.53 50.3 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.462 ' HB3' ' CG2' ' A' ' 103' ' ' VAL . 0.5 OUTLIER -53.3 -178.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.762 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -131.12 70.75 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.3 mm -47.37 142.86 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.5 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 88.0 mtp -131.66 -52.79 1.0 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.462 ' CB ' ' HB ' ' A' ' 102' ' ' VAL . . . -129.37 150.1 50.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 27.2 mt -131.64 112.4 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 100' ' ' ASP . 2.8 t-20 59.75 19.71 8.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 111.19 -40.22 2.62 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.137 . . . . 0.0 110.97 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.81 137.24 45.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.755 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.469 ' CD1' ' HG2' ' A' ' 8' ' ' MET . 30.6 mm -85.24 130.56 35.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 69' ' ' MET . 13.6 m -122.98 22.84 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.431 ' CG2' HG22 ' A' ' 75' ' ' ILE . 38.0 p -54.36 -73.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -94.33 42.15 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.467 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.3 OUTLIER -97.86 150.38 21.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.105 . . . . 0.0 111.025 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 81' ' ' LEU . 2.3 p -91.88 157.27 16.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.431 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 85' ' ' GLU . 6.0 mt -39.29 -63.38 0.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.6 -64.34 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.467 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 30.8 mt-10 -39.31 -69.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -53.08 -66.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 84' ' ' ALA . 8.0 mt-10 -35.91 -57.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.303 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.53 -58.67 7.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.84 -59.0 1.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.425 ' CD2' HD23 ' A' ' 32' ' ' LEU . 8.0 tp -48.27 -58.37 4.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 90' ' ' LYS . 11.4 mm100 -52.08 -61.27 2.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 89' ' ' GLN . 9.7 mttp -37.86 -49.65 1.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -53.39 -56.27 18.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.564 ' CH2' ' HB2' ' A' ' 55' ' ' ALA . 8.4 t-105 -59.44 -47.04 87.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 108.035 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 94' ' ' GLN . 3.0 m-80 -46.63 -46.97 20.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 93' ' ' ASN . 19.8 mt-30 -36.41 -58.59 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 104.44 105.74 3.04 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.449 ' CA ' ' HD3' ' A' ' 26' ' ' LYS . . . -146.66 -166.78 12.46 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -97.22 -43.25 7.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -141.34 156.34 45.85 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.564 HG22 ' CZ3' ' A' ' 92' ' ' TRP . 11.0 tt -131.4 138.15 53.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 72' ' ' ASN . 1.1 m-20 -98.02 119.99 37.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.449 HD11 ' CD1' ' A' ' 24' ' ' ILE . 66.7 mt -117.82 113.9 22.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.365 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.462 ' HB ' ' CB ' ' A' ' 70' ' ' ALA . 36.8 t -83.82 118.41 31.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 66' ' ' ASP . 0.2 OUTLIER -150.28 140.92 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 18' ' ' ASP . . . -78.94 149.94 32.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.475 ' CG1' ' HB3' ' A' ' 18' ' ' ASP . 11.9 p -89.52 149.35 4.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.8 t -176.52 127.55 0.33 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 108.314 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 171.31 18.56 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.531 1.806 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 109.84 3.0 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.496 1.787 . . . . 0.0 111.039 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.81 -47.61 1.04 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 65.43 116.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.75 107.02 3.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -98.11 119.72 37.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 113' ' ' ASP . 7.0 p-10 -175.54 102.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -122.74 -40.12 2.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.0 tp -131.39 -117.95 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.0 t -168.05 133.82 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.388 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -70.52 72.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -147.05 87.28 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.76 . . . . 0.0 109.979 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -177.73 156.37 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.56 -149.26 24.59 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.536 1.147 . . . . 0.0 111.001 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.72 174.45 5.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 0.801 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 177.83 -44.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.1 t -62.83 -31.78 72.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.401 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.7 ttm -63.14 -22.18 66.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.469 ' CE2' HG12 ' A' ' 19' ' ' VAL . 91.2 m-85 -105.88 139.97 39.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.77 162.13 12.99 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -26.16 11.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.551 1.817 . . . . 0.0 111.042 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.66 19.34 7.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 -116.95 -60.31 1.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 110.262 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.499 ' O ' ' CD ' ' A' ' 17' ' ' LYS . 2.9 pt -63.33 -56.33 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 40.09 74.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 17' ' ' LYS . . . 87.05 -42.53 3.16 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.513 1.133 . . . . 0.0 110.951 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.499 ' CD ' ' O ' ' A' ' 14' ' ' ILE . 4.8 mttt -39.7 107.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.747 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.77 102.04 8.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.616 ' CG1' ' CG1' ' A' ' 102' ' ' VAL . 22.4 t -72.68 131.67 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.431 ' HG3' ' CG2' ' A' ' 105' ' ' VAL . 3.9 mtp180 -117.82 123.7 46.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.4 tp -95.54 111.48 23.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.564 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 1.6 mt -103.51 159.48 15.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -126.81 117.28 22.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.449 HD13 ' CD1' ' A' ' 101' ' ' LEU . 3.3 mt -108.98 140.34 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.422 ' N ' HG23 ' A' ' 24' ' ' ILE . 17.9 ttpt -83.77 148.94 26.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.583 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 0.6 OUTLIER -95.12 77.17 3.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.404 ' HB3' ' CZ ' ' A' ' 58' ' ' ARG . 1.1 tt0 -135.65 118.32 16.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.22 60.42 4.13 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 45.04 -169.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.537 ' HB2' ' CD2' ' A' ' 92' ' ' TRP . 58.9 tp -106.84 -64.44 1.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 62.46 68.51 0.66 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.472 HD12 ' CB ' ' A' ' 56' ' ' ALA . 5.8 tp -132.9 133.07 42.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.03 146.79 23.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.3 mt -132.02 157.98 42.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.467 ' CG ' ' HB2' ' A' ' 48' ' ' SER . 25.6 pt-20 -155.97 161.98 40.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 0.0 110.336 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.493 ' HA3' HG12 ' A' ' 42' ' ' VAL . . . 93.59 -144.57 17.17 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.696 ' N ' ' HG ' ' A' ' 40' ' ' SER . . . 66.85 -170.97 31.79 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.558 ' CG1' ' N ' ' A' ' 39' ' ' ASP . 1.8 p 36.68 -149.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 0.741 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.558 ' N ' ' CG1' ' A' ' 38' ' ' VAL . 56.3 m-20 -77.94 54.6 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.696 ' HG ' ' N ' ' A' ' 37' ' ' GLY . 78.4 p -90.17 160.36 40.29 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.982 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.2 Cg_endo -74.96 -3.25 13.64 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.538 1.809 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.493 HG12 ' HA3' ' A' ' 36' ' ' GLY . 2.4 p -92.41 -40.81 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.96 11.46 84.48 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.447 1.092 . . . . 0.0 110.991 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.462 ' HE3' ' CG ' ' A' ' 67' ' ' GLU . 23.7 pttt -159.58 177.34 11.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 0.793 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.9 t -97.45 133.45 39.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.6 m -146.29 134.49 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.3 t -58.36 128.06 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.526 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 44.0 t -82.09 -45.6 15.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.43 146.14 5.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.449 ' CG2' ' HB1' ' A' ' 56' ' ' ALA . 1.5 p -114.13 90.11 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -45.24 116.38 1.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 111.049 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -43.09 -39.62 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.47 54.01 4.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -146.94 -167.47 13.05 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.515 ' CB ' ' CH2' ' A' ' 92' ' ' TRP . . . -91.54 -47.32 7.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.472 ' CB ' HD12 ' A' ' 32' ' ' LEU . . . -41.92 -47.71 4.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.406 ' CD ' ' C ' ' A' ' 57' ' ' GLU . 6.4 tm-20 -52.57 -54.59 30.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.333 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.404 ' CZ ' ' HB3' ' A' ' 27' ' ' GLU . 51.3 mtm180 -42.63 -54.91 3.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 22' ' ' LEU . 25.2 t-80 -40.36 -66.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.599 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' GLY . . . 85.61 -43.85 3.29 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 60' ' ' GLY . . . -37.03 -47.62 1.35 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.404 ' CG2' HD11 ' A' ' 22' ' ' LEU . 2.4 m -120.95 165.08 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.412 HG23 ' N ' ' A' ' 64' ' ' LYS . 11.2 m -144.29 -152.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.526 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -86.64 142.23 28.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.32 -25.81 22.19 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.108 . . . . 0.0 110.949 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.478 ' HB3' ' CG1' ' A' ' 103' ' ' VAL . 44.3 m-20 -51.67 -177.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.763 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.462 ' CG ' ' HE3' ' A' ' 44' ' ' LYS . 0.6 OUTLIER -120.55 106.25 11.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.4 mm -81.26 141.47 15.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.473 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 25.1 mtm -129.23 -54.55 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -122.81 153.26 39.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.43 HG21 ' CD1' ' A' ' 88' ' ' LEU . 42.1 mt -132.7 107.24 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 100' ' ' ASP . 3.8 t-20 63.85 16.3 9.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 113.34 -37.06 3.76 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.2 122.46 16.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 0.757 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.435 HG23 ' CG2' ' A' ' 77' ' ' THR . 34.5 mt -67.44 133.01 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.509 ' HA ' ' CG ' ' A' ' 79' ' ' TYR . 18.8 m -123.11 23.15 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.251 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.435 ' CG2' HG23 ' A' ' 75' ' ' ILE . 25.5 p -52.9 -66.2 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.43 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.59 39.44 1.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.509 ' CG ' ' HA ' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -94.84 137.96 33.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.446 HG23 ' CB ' ' A' ' 38' ' ' VAL . 6.1 p -80.41 157.04 26.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.425 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.433 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 4.1 mt -40.75 -63.21 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.36 -49.79 42.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.39 -69.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -56.87 -62.73 1.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 84' ' ' ALA . 5.0 mt-10 -38.11 -49.36 1.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.49 -61.37 1.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.78 -58.17 1.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.43 ' CD1' HG21 ' A' ' 71' ' ' ILE . 49.3 tp -50.85 -60.09 3.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -50.4 -57.43 7.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.271 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 91' ' ' ALA . 0.7 OUTLIER -40.53 -65.21 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 90' ' ' LYS . . . -38.63 -58.49 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.583 ' CZ2' ' HA ' ' A' ' 26' ' ' LYS . 7.0 t-105 -56.33 -52.77 63.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 107.976 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 94' ' ' GLN . 16.1 m-80 -49.81 -52.45 32.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 93' ' ' ASN . 13.0 mt-30 -36.49 -55.05 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.342 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.418 ' O ' ' HD3' ' A' ' 26' ' ' LYS . . . 142.8 -94.28 0.18 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 95' ' ' GLY . . . 51.99 172.89 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -97.58 -43.63 7.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.428 ' C ' ' HD2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -139.91 175.73 9.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 107.996 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.552 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 3.7 tt -139.7 143.88 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 72' ' ' ASN . 23.3 m-20 -103.58 113.09 26.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.449 ' CD1' HD13 ' A' ' 24' ' ' ILE . 60.1 mt -109.06 112.24 24.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.616 ' CG1' ' CG1' ' A' ' 19' ' ' VAL . 42.1 t -87.35 108.53 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 66' ' ' ASP . 42.6 t -122.1 146.28 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.38 161.04 21.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.431 ' CG2' ' HG3' ' A' ' 20' ' ' ARG . 62.1 t -88.6 149.13 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -160.97 147.1 11.33 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 108.333 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 151.91 40.31 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.542 1.811 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -175.76 2.53 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.495 1.787 . . . . 0.0 110.959 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 178.98 -40.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -90.83 38.67 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -112.96 152.85 28.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -177.93 91.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -81.49 -51.05 8.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 77.15 -55.52 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.343 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.404 ' HG ' ' N ' ' A' ' 116' ' ' THR . 0.7 OUTLIER -166.82 -42.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.421 ' CG2' ' N ' ' A' ' 117' ' ' PHE . 13.3 t -98.74 -143.07 0.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.406 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.421 ' N ' ' CG2' ' A' ' 116' ' ' THR . 0.1 OUTLIER -147.4 29.03 0.96 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 111.051 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.465 ' CD1' ' C ' ' A' ' 118' ' ' PHE . 3.1 p90 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.45 139.35 6.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 110.015 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 61.76 147.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.33 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.99 -123.44 2.21 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.559 1.162 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.471 ' O ' ' CB ' ' A' ' 6' ' ' ALA . . . -67.67 -64.17 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 5' ' ' ALA . . . 81.57 -61.21 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 63.0 p -50.8 -43.66 58.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 110.419 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.409 ' SD ' ' O ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -47.37 -32.64 5.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -109.08 176.72 4.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.72 163.62 53.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.032 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -12.61 21.45 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.47 1.773 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.82 8.29 30.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.263 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -108.45 -40.16 5.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 17' ' ' LYS . 2.0 pt -80.97 -36.47 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.17 124.34 1.85 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.89 -43.74 3.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.449 1.093 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 14' ' ' ILE . 1.1 mttm -58.47 153.38 16.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 0.733 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -129.87 91.33 3.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.76 156.22 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.6 167.68 20.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.41 HD12 ' N ' ' A' ' 22' ' ' LEU . 12.5 tp -110.49 122.99 49.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.459 ' CD1' HG11 ' A' ' 62' ' ' VAL . 33.4 mt -116.24 121.2 41.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.76 122.97 33.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.468 ' CD1' HD12 ' A' ' 101' ' ' LEU . 41.0 mt -107.32 125.31 63.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.241 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -66.89 138.41 57.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.569 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 2.9 mttt -86.78 83.99 7.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -135.36 121.53 20.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.09 78.65 0.13 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.132 . . . . 0.0 111.005 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.6 ' O ' ' CZ2' ' A' ' 92' ' ' TRP . 0.2 OUTLIER 41.52 -161.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 0.736 . . . . 0.0 109.987 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.553 HD11 ' CZ3' ' A' ' 92' ' ' TRP . 47.6 tp -108.22 -75.19 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 75.26 69.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.443 HD13 ' CB ' ' A' ' 56' ' ' ALA . 15.4 tp -136.02 132.45 36.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.36 141.56 34.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.5 mt -128.45 160.78 31.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.466 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 10.3 pt-20 -153.24 171.59 18.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 97.03 -135.29 12.14 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 38' ' ' VAL . . . 48.55 -170.19 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.46 ' O ' ' O ' ' A' ' 37' ' ' GLY . 1.1 m 40.51 -163.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.269 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -76.37 53.3 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.453 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 9.5 p -93.38 165.2 18.8 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.4 Cg_endo -74.96 -4.79 15.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.532 1.807 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.499 ' CG1' ' HG3' ' A' ' 44' ' ' LYS . 97.1 t -88.66 -47.64 15.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.45 27.91 62.62 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.499 ' HG3' ' CG1' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -177.54 167.62 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.758 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.8 t -91.48 139.07 18.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.479 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 23.1 m -146.25 -166.16 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.4 t -108.89 112.25 39.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.464 1.103 . . . . 0.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.508 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 15.1 t -71.92 -46.24 58.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.51 150.36 7.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 24.7 t -110.96 89.75 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -46.83 122.52 4.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -64.58 160.27 19.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.09 -43.89 3.29 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.138 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.64 -168.98 0.03 OUTLIER Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.487 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -82.57 -47.39 12.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.443 ' CB ' HD13 ' A' ' 32' ' ' LEU . . . -44.47 -57.09 3.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -49.83 -54.22 20.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.82 -54.78 7.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -46.43 -65.7 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.612 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 83.13 -149.18 26.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.553 1.158 . . . . 0.0 110.966 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.25 -59.2 4.0 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.459 HG11 ' CD1' ' A' ' 22' ' ' LEU . 4.6 m -115.8 158.84 16.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.41 ' O ' ' CG ' ' A' ' 66' ' ' ASP . 19.7 m -137.68 176.17 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.508 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -40.37 147.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.34 -39.3 2.95 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.483 ' HB3' ' CG1' ' A' ' 103' ' ' VAL . 3.6 m-20 -42.05 157.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 109.242 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -109.15 112.88 25.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.0 mm -83.03 135.42 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.501 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 80.6 mtp -120.81 -50.94 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -134.67 139.67 45.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 33.7 mt -115.23 117.76 56.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 100' ' ' ASP . 1.1 t-20 51.53 22.34 1.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.409 ' O ' ' SD ' ' A' ' 8' ' ' MET . . . 114.44 -44.83 1.41 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 111.041 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.7 153.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.566 ' O ' ' CE1' ' A' ' 79' ' ' TYR . 12.1 mm -100.45 118.15 46.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.53 ' HA ' ' CG ' ' A' ' 79' ' ' TYR . 11.4 m -123.64 22.73 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 34.2 p -60.05 -34.1 72.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.366 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -133.34 37.13 3.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.352 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.566 ' CE1' ' O ' ' A' ' 75' ' ' ILE . 0.8 OUTLIER -89.0 167.62 13.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.944 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.2 p -107.11 157.01 18.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.392 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 85' ' ' GLU . 6.7 mt -41.87 -63.08 0.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.48 -64.04 0.89 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -39.93 -69.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -52.8 -65.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 81' ' ' LEU . 5.6 mt-10 -37.41 -40.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 110.353 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.16 -57.79 3.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.09 -61.42 1.77 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.454 ' HG ' ' CD2' ' A' ' 30' ' ' LEU . 32.3 tp -40.96 -50.01 3.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 92' ' ' TRP . 9.9 mm100 -59.16 -64.49 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 89' ' ' GLN . 61.8 mttt -38.32 -50.67 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.406 ' HB3' ' CD1' ' A' ' 99' ' ' ILE . . . -51.95 -50.63 60.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.6 ' CZ2' ' O ' ' A' ' 29' ' ' SER . 15.1 t-105 -64.63 -50.39 67.33 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 94' ' ' GLN . 13.8 m-80 -43.73 -43.76 6.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 93' ' ' ASN . 13.4 mt-30 -36.53 -53.51 0.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.256 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 94.92 104.87 1.95 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.439 1.087 . . . . 0.0 111.043 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.477 ' CA ' ' HD3' ' A' ' 26' ' ' LYS . . . -148.33 -164.67 11.55 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.422 ' HB3' ' CD1' ' A' ' 98' ' ' TRP . 1.3 t0 -97.49 -43.86 7.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.422 ' CD1' ' HB3' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -141.67 146.94 36.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 107.99 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.561 HG23 ' CZ3' ' A' ' 92' ' ' TRP . 12.2 tt -119.31 138.12 51.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 72' ' ' ASN . 1.1 m-20 -92.06 130.69 37.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.468 HD12 ' CD1' ' A' ' 24' ' ' ILE . 22.1 mt -134.54 112.68 11.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 21.9 t -80.75 124.68 38.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 66' ' ' ASP . 8.9 t -136.88 141.89 39.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -87.2 150.67 23.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 54.0 t -80.09 150.84 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 4.9 t -144.21 129.84 9.74 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 108.286 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 151.41 39.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.523 1.802 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.494 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 18.4 Cg_endo -74.99 139.91 24.86 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.507 1.793 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 108' ' ' PRO . 0.0 OUTLIER 164.66 -47.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.338 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 67.47 114.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.246 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -154.74 145.88 22.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -100.3 123.06 44.07 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -68.12 162.1 25.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.65 -34.75 10.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 177.61 -83.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 56.3 p -135.46 -143.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.28 -45.2 9.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 22.5 p90 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.976 . . . . . . . . 0 0 . 1 . 011 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 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -157.65 -58.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.773 . . . . 0.0 109.967 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -69.13 146.82 52.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.99 92.67 0.09 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.502 1.127 . . . . 0.0 110.997 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 43.18 80.12 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 109.337 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -127.32 16.44 7.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.1 p -98.94 -45.79 5.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.361 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.96 -51.65 22.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -73.77 173.34 9.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.24 159.48 56.44 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.982 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -16.31 20.39 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.477 1.777 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -103.52 15.37 29.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -115.92 -52.89 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.2 pt -67.28 -41.29 86.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.29 126.51 11.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.05 -48.41 1.14 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.454 1.096 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -72.98 168.39 19.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 0.792 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -115.68 86.1 2.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 39.4 t -82.87 123.73 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.9 mtt180 -126.41 123.64 38.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.1 tp -92.86 116.88 29.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.443 ' CD1' HG22 ' A' ' 62' ' ' VAL . 15.3 mt -104.9 148.35 26.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.574 ' NH1' ' CD2' ' A' ' 98' ' ' TRP . 2.3 ttm-85 -116.8 109.28 16.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.256 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.502 ' O ' ' CB ' ' A' ' 98' ' ' TRP . 69.4 mt -96.82 153.17 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -93.04 138.96 31.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.569 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 29.4 mttt -88.09 80.62 7.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.164 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 29' ' ' SER . 7.8 tp10 -121.53 137.6 54.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.96 -79.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.563 ' O ' ' CZ2' ' A' ' 92' ' ' TRP . 1.2 p -156.63 -170.77 3.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 0.762 . . . . 0.0 110.02 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.507 ' HB2' ' CD2' ' A' ' 92' ' ' TRP . 35.5 tp -96.78 -61.45 1.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 53.09 84.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.4 tp -149.25 131.59 15.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.25 137.5 33.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.0 mt -127.52 154.97 44.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.469 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 13.0 pt-20 -156.5 155.43 31.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.517 ' HA3' HG13 ' A' ' 42' ' ' VAL . . . 105.4 -152.65 17.24 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.469 1.105 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . 65.72 -168.8 31.28 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.557 ' CG1' ' N ' ' A' ' 39' ' ' ASP . 1.7 p 36.25 -148.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.557 ' N ' ' CG1' ' A' ' 38' ' ' VAL . 9.1 t0 -78.47 52.54 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 96.1 p -92.2 158.87 38.48 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.3 Cg_endo -74.94 3.41 5.61 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.517 HG13 ' HA3' ' A' ' 36' ' ' GLY . 1.4 p -103.48 -45.15 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.43 9.61 81.38 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.477 ' HD2' ' CG2' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -157.84 167.66 29.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.747 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.6 t -85.35 137.22 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 15.5 m -146.99 134.55 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 72.2 t -58.34 119.92 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.511 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 3.3 t -75.96 -46.4 29.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.025 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.92 145.58 5.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.3 t -101.11 89.85 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -40.24 135.55 1.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -83.49 138.52 33.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.34 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 103.96 -39.35 2.84 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -57.07 -170.53 0.15 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.571 ' HB1' ' CH2' ' A' ' 92' ' ' TRP . . . -86.07 -31.42 21.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.18 -55.52 32.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -58.41 -46.48 86.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.349 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.66 -51.38 12.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.45 ' CG ' HG12 ' A' ' 24' ' ' ILE . 30.3 t-80 -52.55 -65.58 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.558 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.425 ' O ' ' ND1' ' A' ' 59' ' ' HIS . . . 78.28 -169.9 54.63 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.122 . . . . 0.0 111.045 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.23 -30.12 8.05 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.443 HG22 ' CD1' ' A' ' 22' ' ' LEU . 2.0 t -131.57 157.8 43.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.4 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 26.8 m -125.23 -166.02 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.511 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.1 OUTLIER -77.88 167.75 21.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.65 -0.4 89.21 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.484 ' HB3' ' CG2' ' A' ' 103' ' ' VAL . 0.5 OUTLIER -57.58 154.41 11.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.439 ' C ' ' CG2' ' A' ' 103' ' ' VAL . 3.4 mt-10 -93.1 73.08 4.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.425 ' N ' HG23 ' A' ' 103' ' ' VAL . 15.4 mm -58.09 142.66 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 25.1 mtm -142.12 -45.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -136.44 137.05 40.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.51 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 29.6 mt -116.6 108.56 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 71' ' ' ILE . 1.7 t-20 82.48 -52.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -176.55 -37.31 0.05 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.2 tptt -64.88 141.29 58.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 0.752 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.46 HG22 ' CG2' ' A' ' 77' ' ' THR . 26.5 mt -78.68 132.12 32.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.6 m -122.63 22.95 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.46 ' CG2' HG22 ' A' ' 75' ' ' ILE . 40.8 p -57.56 -64.93 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.407 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -97.35 40.46 1.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.563 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.3 OUTLIER -100.11 152.01 20.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 81' ' ' LEU . 6.6 p -90.18 153.53 20.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.416 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.469 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 5.1 mt -39.9 -64.72 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -45.82 -55.09 7.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.563 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -45.78 -69.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -54.94 -63.08 1.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 84' ' ' ALA . 22.5 mt-10 -36.49 -47.25 0.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 110.326 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.09 -61.2 1.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.2 -51.9 2.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.6 tp -56.21 -62.93 1.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' TRP . 13.8 mm100 -48.32 -50.61 29.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 89' ' ' GLN . 23.6 mttt -39.73 -58.74 1.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.444 ' O ' ' NZ ' ' A' ' 26' ' ' LYS . . . -46.29 -44.2 16.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.571 ' CH2' ' HB1' ' A' ' 55' ' ' ALA . 5.3 t-105 -68.65 -48.88 62.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 108.021 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 94' ' ' GLN . 5.3 m-80 -53.46 -45.53 69.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 93' ' ' ASN . 14.0 mt-30 -36.46 -43.42 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.275 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 95.0 66.48 1.0 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.443 1.089 . . . . 0.0 111.034 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -106.49 -166.18 22.73 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -97.83 -44.87 6.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.766 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.574 ' CD2' ' NH1' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -142.6 175.48 9.77 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.567 HG23 ' CZ3' ' A' ' 92' ' ' TRP . 5.5 tt -140.77 140.93 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -100.23 143.02 30.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.438 ' CD1' HD12 ' A' ' 24' ' ' ILE . 75.1 mt -128.35 126.04 39.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 38.9 t -103.12 99.4 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.484 ' CG2' ' HB3' ' A' ' 66' ' ' ASP . 3.5 p -146.27 147.27 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.411 ' N ' HG22 ' A' ' 103' ' ' VAL . . . -69.8 143.88 52.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.0 p -80.52 148.67 5.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 42.2 t -155.73 117.03 2.28 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 108.291 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 149.83 37.06 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.471 1.774 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 119.9 5.84 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.495 1.787 . . . . 0.0 111.027 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 171.98 -36.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -152.16 104.79 3.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -54.94 -172.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -156.54 119.67 4.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 174.09 179.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 60.19 85.54 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -139.8 32.05 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 18.8 p -121.15 83.59 2.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.415 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 57.56 81.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 111.041 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 47.83 96.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.764 . . . . 0.0 109.957 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.1 -69.22 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.12 116.66 3.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.482 1.114 . . . . 0.0 111.05 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.26 -172.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 69.82 13.84 8.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.8 p -105.51 -38.87 6.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.407 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.404 ' N ' ' SD ' ' A' ' 8' ' ' MET . 3.2 mpp? -89.51 43.96 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 111.052 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -146.53 164.47 32.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.79 161.18 78.8 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.027 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -27.75 9.86 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.9 16.8 13.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -116.87 -53.63 2.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.3 pt -68.95 -41.26 81.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.31 124.45 6.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.27 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.8 -41.05 3.04 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -62.03 161.16 11.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 109.299 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.54 86.07 2.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 92.6 t -95.86 131.01 43.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -132.37 132.3 42.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.8 tp -90.77 119.72 31.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.1 mt -113.29 144.56 42.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.5 ttp-105 -120.39 115.59 23.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.493 HG12 ' CG ' ' A' ' 59' ' ' HIS . 53.7 mt -98.25 155.04 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -89.79 144.83 25.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.253 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.528 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 16.5 mttt -96.33 76.9 2.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -121.84 133.08 54.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.82 -76.17 0.71 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 2.6 m -169.92 -175.07 1.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.771 . . . . 0.0 110.002 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.504 ' HB2' ' CD2' ' A' ' 92' ' ' TRP . 27.1 tp -91.65 -85.98 0.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 72.21 87.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.1 tp -149.62 130.19 13.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.33 151.73 19.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.2 mt -132.99 158.35 42.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -156.34 142.27 18.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.513 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . 108.42 -138.76 14.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.656 ' N ' ' HG ' ' A' ' 40' ' ' SER . . . 60.75 -165.51 14.31 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.559 ' CG1' ' N ' ' A' ' 39' ' ' ASP . 2.9 p 33.41 -145.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.775 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.559 ' N ' ' CG1' ' A' ' 38' ' ' VAL . 4.7 p-10 -80.39 52.16 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.656 ' HG ' ' N ' ' A' ' 37' ' ' GLY . 96.3 p -88.07 160.33 46.39 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.588 1.18 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.446 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.4 Cg_endo -74.96 -2.61 12.76 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.529 1.805 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.513 HG11 ' HA3' ' A' ' 36' ' ' GLY . 3.0 p -94.39 -41.2 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.42 -1.99 86.18 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.521 ' HD2' ' CG1' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -146.29 162.26 38.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 0.782 . . . . 0.0 109.237 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.8 t -79.45 139.53 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.521 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 17.0 m -146.94 134.46 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.18 128.78 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.6 t -80.22 -47.56 14.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.966 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.86 151.79 7.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.9 t -108.97 89.74 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 -41.37 120.93 1.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.49 -21.2 66.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -98.01 55.65 1.14 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.59 -165.07 13.83 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.561 ' HB1' ' CH2' ' A' ' 92' ' ' TRP . . . -90.58 -32.77 16.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.55 -57.59 7.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' ARG . 8.5 tm-20 -54.01 -52.68 60.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -38.16 -58.49 0.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.493 ' CG ' HG12 ' A' ' 24' ' ' ILE . 41.7 t-80 -50.29 -64.11 0.91 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 0.0 109.595 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.75 68.35 1.48 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.547 1.154 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -139.81 -59.18 0.04 OUTLIER Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.4 p -90.81 124.29 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.415 HG21 ' N ' ' A' ' 64' ' ' LYS . 2.8 m -103.88 -165.17 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.415 ' N ' HG21 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -84.87 149.05 25.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.52 45.83 82.0 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.71 -172.25 3.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -115.84 56.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.334 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.8 mm -54.32 139.44 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.403 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 22.8 mtm -134.82 -51.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -127.28 152.66 47.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 26.5 mt -126.96 115.36 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 49.85 23.89 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 115.31 -56.73 0.5 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.428 1.08 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.1 126.89 11.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.4 ' CG2' ' OG1' ' A' ' 77' ' ' THR . 25.9 mt -73.15 133.8 31.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.411 ' HA ' ' CG ' ' A' ' 79' ' ' TYR . 16.0 m -122.64 23.13 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.4 ' OG1' ' CG2' ' A' ' 75' ' ' ILE . 9.1 p -54.01 -79.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.392 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -90.59 41.54 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.411 ' CG ' ' HA ' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -98.59 156.05 16.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 81' ' ' LEU . 11.3 p -96.66 154.23 17.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.331 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 85' ' ' GLU . 2.0 mt -38.55 -65.99 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 83' ' ' GLU . . . -41.28 -66.87 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -37.2 -70.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.334 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -53.41 -58.76 5.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 81' ' ' LEU . 11.7 mm-40 -36.79 -57.96 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.254 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.32 -56.08 11.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.26 -49.61 2.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 38.4 tp -63.92 -57.06 10.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 92' ' ' TRP . 4.5 mm-40 -49.92 -60.0 3.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 89' ' ' GLN . 25.6 mttt -37.85 -51.83 1.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.411 ' O ' ' NZ ' ' A' ' 26' ' ' LYS . . . -51.74 -50.78 59.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.564 ' CZ3' HG21 ' A' ' 99' ' ' ILE . 8.1 t-105 -64.4 -48.94 73.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 108.014 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 94' ' ' GLN . 3.0 m-80 -44.28 -42.62 6.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 93' ' ' ASN . 26.5 mt-30 -38.23 -43.64 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.68 29.75 10.47 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -66.8 -174.63 6.42 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.422 ' HB2' ' CE2' ' A' ' 98' ' ' TRP . 1.3 m-20 -88.44 -43.11 11.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 0.749 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.422 ' CE2' ' HB2' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -141.15 174.92 10.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 107.975 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.564 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 5.8 tt -142.23 137.89 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -97.41 138.84 34.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.469 HD13 ' CD1' ' A' ' 24' ' ' ILE . 49.8 mt -128.12 128.72 45.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 59.1 t -101.46 100.69 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.66 136.09 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.1 -178.42 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 76.8 t -93.07 148.23 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 179.15 117.65 0.21 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 108.328 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 165.73 30.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.782 . . . . 0.0 111.047 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 120.9 6.26 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.485 1.781 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.73 -48.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 65.68 116.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 110.255 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.43 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 0.6 OUTLIER -47.42 -48.5 26.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 111' ' ' TYR . 2.6 t70 77.44 -65.13 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -86.33 177.68 7.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.19 77.48 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.9 tp -115.2 -132.75 0.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -111.37 -8.23 14.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.451 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -48.55 -37.03 16.74 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.0 m -49.89 144.4 6.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 0.732 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -176.37 107.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.1 81.45 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.135 . . . . 0.0 111.02 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 6' ' ' ALA . . . 76.49 -57.17 0.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 5' ' ' ALA . . . -39.27 -70.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.2 p -47.13 -45.27 22.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.384 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.7 ttm -54.31 -27.16 33.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 111.041 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.531 ' CE1' ' HE2' ' A' ' 69' ' ' MET . 71.7 m-85 -108.16 141.1 40.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.14 157.94 5.59 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 110.001 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -17.36 19.63 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -101.04 16.75 24.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.103 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -116.74 -53.96 2.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.5 pt -66.95 -40.33 85.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.27 119.92 2.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.54 -43.0 3.08 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -57.57 173.19 0.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 0.758 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -131.61 88.62 2.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.1 t -104.28 147.18 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.0 mtt180 -144.27 121.85 11.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 27.2 tp -102.81 129.45 49.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.283 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 mt -123.15 152.66 40.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 109.32 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.04 128.81 55.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.512 HG12 ' CG ' ' A' ' 59' ' ' HIS . 51.6 mt -120.33 149.75 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.88 148.2 32.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.564 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 20.6 mttt -94.72 77.82 3.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -130.85 155.28 46.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 40.54 58.65 2.48 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.447 ' C ' ' NE1' ' A' ' 92' ' ' TRP . 0.6 OUTLIER 48.21 -167.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.748 . . . . 0.0 109.992 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.521 ' HB2' ' CD2' ' A' ' 92' ' ' TRP . 43.8 tp -97.01 -69.93 0.74 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 70.55 61.54 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.467 ' CD1' HG23 ' A' ' 50' ' ' VAL . 29.8 tp -134.41 146.36 49.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -114.4 154.42 28.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.7 mt -132.7 155.18 49.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.449 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 12.2 pt-20 -156.35 144.92 20.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.06 -143.95 18.28 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.486 1.117 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 38' ' ' VAL . . . 52.62 -166.39 1.22 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.533 ' CG1' ' N ' ' A' ' 39' ' ' ASP . 1.3 p 36.31 -151.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 0.79 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.533 ' N ' ' CG1' ' A' ' 38' ' ' VAL . 7.4 p-10 -80.74 51.9 1.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.3 p -97.62 161.12 26.9 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -4.72 15.82 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.463 ' CG1' ' HG2' ' A' ' 44' ' ' LYS . 78.2 t -90.19 -46.37 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.55 23.37 77.11 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.463 ' HG2' ' CG1' ' A' ' 42' ' ' VAL . 25.9 pttt -168.76 169.6 9.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 0.785 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.1 t -91.46 128.95 42.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 28.0 m -144.66 134.58 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.441 HG11 ' CG2' ' A' ' 50' ' ' VAL . 38.4 t -58.48 114.81 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.477 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 3.4 t -64.35 -47.71 78.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.024 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.38 146.68 6.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.467 HG23 ' CD1' ' A' ' 32' ' ' LEU . 55.9 t -108.99 93.31 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -52.03 135.62 30.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.07 -11.8 60.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.303 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -100.47 56.45 0.8 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.575 1.172 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -161.5 -170.19 25.84 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.557 ' HB2' ' CZ2' ' A' ' 92' ' ' TRP . . . -86.05 -36.41 19.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.33 -59.97 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 58' ' ' ARG . 12.4 tm-20 -53.68 -52.17 60.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -38.5 -46.31 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.258 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.512 ' CG ' HG12 ' A' ' 24' ' ' ILE . 53.5 t-80 -71.47 -64.98 0.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.572 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.75 -109.36 3.83 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.543 1.152 . . . . 0.0 110.96 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 55.01 -91.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.7 p -87.56 165.09 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.755 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 29.7 m -132.54 -166.15 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.477 ' CD ' ' O ' ' A' ' 48' ' ' SER . 1.4 ttpt -66.74 159.2 28.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.84 -12.09 58.08 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.491 ' HB2' ' CG2' ' A' ' 103' ' ' VAL . 2.3 p-10 -54.51 167.0 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 0.763 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.423 ' CG ' ' HE3' ' A' ' 44' ' ' LYS . 23.2 mt-10 -118.29 90.1 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -74.53 137.19 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.531 ' HE2' ' CE1' ' A' ' 9' ' ' PHE . 65.0 mtp -110.03 -40.44 4.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.577 ' CB ' ' CG1' ' A' ' 102' ' ' VAL . . . -126.96 171.92 10.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 74.6 mt -146.21 107.24 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 42.52 32.27 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.483 ' O ' ' CG ' ' A' ' 74' ' ' LYS . . . 90.65 73.58 1.27 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.554 1.159 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 73' ' ' GLY . 0.7 OUTLIER -173.77 102.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.26 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 22.0 mm -51.14 117.56 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.516 ' HA ' ' CG ' ' A' ' 79' ' ' TYR . 8.8 m -121.5 22.38 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 55.8 p -51.68 -57.8 8.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.426 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.6 40.49 2.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.516 ' CG ' ' HA ' ' A' ' 76' ' ' VAL . 0.3 OUTLIER -85.29 177.99 7.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.47 HG21 ' CB ' ' A' ' 38' ' ' VAL . 2.3 p -115.0 152.56 32.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.415 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 85' ' ' GLU . 4.4 mt -40.73 -63.14 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -43.93 -65.88 0.45 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -39.13 -69.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.287 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -51.92 -65.76 0.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 81' ' ' LEU . 5.4 mt-10 -37.1 -58.65 0.78 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.05 -63.55 1.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.56 -63.57 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 59.4 tp -44.48 -57.53 3.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 90' ' ' LYS . 57.3 mm-40 -51.43 -60.11 3.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 89' ' ' GLN . 0.9 OUTLIER -39.59 -52.82 2.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 94' ' ' GLN . . . -47.12 -72.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.564 ' CZ2' ' HA ' ' A' ' 26' ' ' LYS . 5.3 t-105 -49.46 -49.1 46.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 108.018 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 94' ' ' GLN . 6.1 m-20 -44.51 -49.15 10.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 93' ' ' ASN . 21.5 mt-30 -35.78 -56.58 0.69 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 108.68 43.96 1.18 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.405 ' CA ' ' HD3' ' A' ' 26' ' ' LYS . . . -77.91 -174.27 42.28 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -90.32 -43.88 10.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 0.734 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -142.23 174.06 10.95 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.56 HG22 ' CZ3' ' A' ' 92' ' ' TRP . 5.3 tt -143.64 133.07 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.94 126.53 35.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.424 HD12 ' CD1' ' A' ' 24' ' ' ILE . 39.8 mt -114.32 122.88 48.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.577 ' CG1' ' CB ' ' A' ' 70' ' ' ALA . 0.2 OUTLIER -108.66 124.33 65.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.52 HG23 ' N ' ' A' ' 104' ' ' ALA . 0.8 OUTLIER -153.98 144.57 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.52 ' N ' HG23 ' A' ' 103' ' ' VAL . . . -70.52 169.56 13.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 38.8 t -84.24 155.78 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -161.32 115.34 1.29 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 108.29 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 173.12 15.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.442 1.759 . . . . 0.0 110.941 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 108.73 2.79 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.486 1.782 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 110' ' ' GLU . 40.2 pttt -167.25 -47.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 109' ' ' LYS . 3.7 tp10 63.73 115.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -114.6 126.22 54.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 177.82 104.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.3 t70 178.12 148.29 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -147.59 84.15 1.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.281 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 67.86 122.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.9 t -66.11 -12.17 53.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.372 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 50.23 75.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 111.019 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.993 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 t -166.11 87.95 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 0.738 . . . . 0.0 110.078 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.44 162.11 28.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.12 82.41 0.35 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 40.5 69.86 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -131.31 44.09 2.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.2 p -122.35 -41.65 2.39 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.543 1.152 . . . . 0.0 110.416 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -52.02 -52.45 50.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -73.98 157.75 35.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.72 158.44 74.64 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.988 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -18.23 18.88 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.537 1.809 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.22 15.33 26.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.337 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -115.62 -51.8 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.3 pt -69.66 -43.36 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.56 125.59 13.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.93 -49.14 1.04 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -67.27 -177.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.754 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -133.63 85.96 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.328 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.2 t -90.29 132.48 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -125.04 121.04 33.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.429 HD13 ' CB ' ' A' ' 100' ' ' ASP . 9.6 tp -85.87 122.65 30.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.6 mt -116.2 117.13 29.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.564 ' HD2' ' CE3' ' A' ' 98' ' ' TRP . 0.0 OUTLIER -93.94 120.04 33.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.452 HD12 ' CD1' ' A' ' 101' ' ' LEU . 85.0 mt -102.62 143.07 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.6 tttm -88.7 145.59 25.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.59 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 0.4 OUTLIER -88.13 92.15 9.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -132.33 125.86 31.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.51 -69.44 0.71 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 m -179.36 170.15 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 109.944 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.478 ' HB2' ' CD2' ' A' ' 92' ' ' TRP . 55.5 tp -78.54 -74.59 0.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 60.4 73.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 tp -137.27 131.1 31.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.56 142.28 27.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 28.1 mt -127.62 155.93 43.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.351 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.406 ' CG ' ' HB2' ' A' ' 48' ' ' SER . 11.8 pt-20 -151.73 157.05 41.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.494 ' HA3' HG13 ' A' ' 42' ' ' VAL . . . 100.39 -150.0 18.77 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.137 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.573 ' N ' ' HG ' ' A' ' 40' ' ' SER . . . 65.17 177.59 6.36 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.484 HG11 ' N ' ' A' ' 39' ' ' ASP . 3.6 p 50.38 -161.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 0.736 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.484 ' N ' HG11 ' A' ' 38' ' ' VAL . 0.8 OUTLIER -69.83 57.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.573 ' HG ' ' N ' ' A' ' 37' ' ' GLY . 43.1 p -98.03 161.25 26.19 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.012 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.464 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.5 Cg_endo -74.93 -1.3 11.02 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.465 1.771 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.494 HG13 ' HA3' ' A' ' 36' ' ' GLY . 1.5 p -94.03 -43.39 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.71 -9.54 76.8 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.528 1.143 . . . . 0.0 110.97 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.485 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -143.95 -175.57 4.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 76.2 t -100.57 140.96 18.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.453 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 10.4 m -146.39 133.82 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.077 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 77.8 t -58.72 124.97 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.504 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 34.3 t -79.38 -48.41 14.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -168.83 136.21 1.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.469 HG23 ' CB ' ' A' ' 56' ' ' ALA . 2.5 p -105.42 95.33 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.421 ' C ' ' O ' ' A' ' 50' ' ' VAL . 7.9 m-30 -35.78 126.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.406 ' HA ' ' CG ' ' A' ' 57' ' ' GLU . 47.9 tt0 -76.23 108.27 9.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.349 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 136.74 -31.56 2.55 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.469 1.105 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -58.81 -156.92 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.549 ' HB1' ' CH2' ' A' ' 92' ' ' TRP . . . -91.39 -33.17 15.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.469 ' CB ' HG23 ' A' ' 50' ' ' VAL . . . -59.7 -53.93 52.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.352 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.406 ' CG ' ' HA ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -62.09 -48.34 80.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -46.82 -42.08 16.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -54.19 -53.43 53.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.617 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.03 76.33 0.47 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -132.82 -66.59 0.08 OUTLIER Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 38.4 t -129.96 156.78 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 0.782 . . . . 0.0 109.33 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.2 m -102.83 179.39 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.085 . . . . 0.0 109.265 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.504 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -55.86 160.44 2.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 66' ' ' ASP . . . 95.17 -24.5 28.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.463 ' CG ' ' CG1' ' A' ' 103' ' ' VAL . 6.3 t0 -39.89 156.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -93.74 97.86 10.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.3 mm -78.49 160.07 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.1 mtm -155.9 -52.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -130.54 141.32 50.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 51.6 mt -118.09 110.06 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 55.64 27.65 10.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 109.52 -53.32 0.59 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.99 122.72 7.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.779 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 21.7 mt -70.67 132.39 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 18.5 m -122.04 22.7 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.0 p -51.4 -84.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.383 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -89.28 42.89 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.558 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -95.62 153.94 17.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.991 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 81' ' ' LEU . 3.6 p -90.97 152.71 20.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.399 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 85' ' ' GLU . 2.9 mt -39.86 -64.85 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.75 -50.98 9.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.558 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -48.77 -69.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -56.94 -64.31 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 84' ' ' ALA . 5.3 mt-10 -36.38 -54.96 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.07 -55.24 17.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -43.9 -65.49 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 15.3 tp -44.13 -54.84 5.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -49.45 -63.21 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -40.04 -59.59 1.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -43.41 -53.55 5.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.59 ' CZ2' ' HA ' ' A' ' 26' ' ' LYS . 22.4 t-105 -61.0 -51.73 68.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 108.005 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 94' ' ' GLN . 34.6 m-80 -49.37 -49.59 43.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 93' ' ' ASN . 11.1 mt-30 -38.39 -33.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 115.62 -91.9 0.57 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 50.87 175.8 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -97.29 -44.16 7.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.564 ' CE3' ' HD2' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -142.17 167.74 21.39 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.3 tt -129.31 136.63 59.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.429 ' CB ' HD13 ' A' ' 21' ' ' LEU . 1.1 m-20 -95.91 112.98 24.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.452 ' CD1' HD12 ' A' ' 24' ' ' ILE . 96.4 mt -102.35 117.72 35.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 98.6 t -85.53 98.55 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.37 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.463 ' CG1' ' CG ' ' A' ' 66' ' ' ASP . 1.3 t -126.71 154.97 37.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -105.14 163.96 12.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 76.1 t -84.35 152.7 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -144.61 135.03 12.0 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 108.334 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 155.01 43.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.565 1.824 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 131.82 14.66 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.79 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.6 pttm -164.81 -55.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 66.02 112.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -157.94 104.92 1.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.7 p-10 -136.7 170.32 16.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 178.25 -37.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 70.69 -59.48 0.53 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.476 ' O ' ' CD2' ' A' ' 115' ' ' LEU . 1.7 tt 66.04 46.13 2.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 18.2 p -142.3 119.05 11.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.4 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -37.7 -34.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 49.44 82.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.754 . . . . 0.0 110.0 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -102.25 143.86 31.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.34 -73.37 1.16 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.517 1.136 . . . . 0.0 110.974 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -115.51 177.51 4.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 173.59 -55.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.17 . . . . 0.0 109.299 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 41.7 p -57.97 -55.73 31.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.383 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.7 ttp -39.58 -46.57 1.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -86.03 -179.51 6.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.13 167.63 14.65 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.979 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -34.64 3.68 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.536 1.809 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -88.6 20.26 3.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -118.44 -57.02 2.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.276 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.495 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 2.5 pt -67.75 -53.12 33.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 52.41 -134.09 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.2 22.53 25.85 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.128 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 23.9 mtpp -73.23 148.28 43.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 0.737 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.89 89.43 3.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.2 m -98.7 156.98 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -124.83 130.11 51.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -88.35 111.08 21.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 82.2 mt -105.35 155.03 19.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.73 122.99 37.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.47 HG12 ' CB ' ' A' ' 59' ' ' HIS . 6.4 mt -99.8 155.48 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.5 tttt -91.96 143.9 26.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.447 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 8.6 mttt -89.3 80.94 6.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -126.49 126.12 43.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 41.49 75.51 0.13 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 46.08 -169.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.771 . . . . 0.0 109.973 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.577 ' HB2' ' CE3' ' A' ' 92' ' ' TRP . 2.9 tp -116.44 -47.84 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 54.43 72.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.0 tp -126.97 151.87 47.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 109.306 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -114.6 143.48 44.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 51.9 mt -128.16 159.71 34.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.411 ' N ' HD22 ' A' ' 81' ' ' LEU . 10.7 pt-20 -155.98 165.37 36.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 37' ' ' GLY . . . 104.23 -124.58 8.09 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.456 1.098 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.457 ' C ' ' CG2' ' A' ' 38' ' ' VAL . . . 47.05 -175.44 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.457 ' CG2' ' C ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER 41.68 -164.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 0.751 . . . . 0.0 109.292 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -70.29 56.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.456 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 67.8 p -89.76 160.22 41.73 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 110.024 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.456 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.3 Cg_endo -74.98 -2.13 12.14 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.78 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.483 ' CG1' ' HG3' ' A' ' 44' ' ' LYS . 54.8 t -93.66 -54.36 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.39 28.94 34.6 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.483 ' HG3' ' CG1' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -177.8 167.68 2.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 0.77 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.8 t -84.09 135.58 24.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.476 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 19.6 m -146.38 133.71 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 73.5 t -60.77 112.3 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.4 t -66.34 -48.0 71.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.985 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.6 147.26 6.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.459 ' CG2' ' HB1' ' A' ' 56' ' ' ALA . 1.5 p -112.7 92.24 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -45.99 119.92 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 111.021 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -49.43 -22.7 1.24 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.68 51.28 2.32 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -147.06 -169.25 14.44 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.566 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -91.42 -38.94 12.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 0.804 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.459 ' HB1' ' CG2' ' A' ' 50' ' ' VAL . . . -47.32 -47.61 25.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -56.14 -54.81 40.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.2 mtt-85 -50.34 -38.81 43.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.509 ' CE1' ' HA3' ' A' ' 61' ' ' GLY . 15.2 t-80 -62.09 -64.34 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.615 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.08 -43.52 3.06 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.509 ' HA3' ' CE1' ' A' ' 59' ' ' HIS . . . -37.83 -48.2 1.87 Allowed Glycine 0 CA--C 1.531 1.043 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.3 t -112.57 141.59 27.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 0.78 . . . . 0.0 109.343 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.4 m -137.47 -162.76 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -76.38 143.35 40.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.27 -29.41 11.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.471 ' HB3' ' CG1' ' A' ' 103' ' ' VAL . 0.7 OUTLIER -40.83 141.89 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 0.801 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.478 ' N ' ' CG1' ' A' ' 103' ' ' VAL . 4.1 mt-10 -87.01 86.69 7.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.46 HD11 ' CG2' ' A' ' 103' ' ' VAL . 22.7 mm -63.45 148.48 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.448 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 22.0 mtm -144.39 -47.02 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -131.11 155.13 47.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 40.3 mt -131.82 107.47 13.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 59.25 24.19 12.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 112.18 -55.87 0.49 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.22 121.77 3.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.77 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 17.2 mt -68.56 130.79 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.565 HG11 ' CD2' ' A' ' 79' ' ' TYR . 13.7 m -123.38 23.41 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.0 p -55.76 -55.05 36.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 110.39 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.34 35.59 2.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.565 ' CD2' HG11 ' A' ' 76' ' ' VAL . 0.4 OUTLIER -94.22 146.72 23.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.1 p -88.96 155.09 19.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.422 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 85' ' ' GLU . 9.8 mt -41.09 -63.89 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.88 -50.13 19.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.79 -69.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -56.56 -62.81 1.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 81' ' ' LEU . 7.3 mt-10 -37.78 -45.32 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.4 -58.33 3.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -42.38 -63.25 0.79 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.085 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.405 HD23 ' CD2' ' A' ' 30' ' ' LEU . 24.2 tp -43.69 -54.06 5.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -47.25 -65.54 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 89' ' ' GLN . 30.1 mttt -39.47 -62.21 0.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' A' ' 94' ' ' GLN . . . -40.96 -62.52 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.577 ' CE3' ' HB2' ' A' ' 30' ' ' LEU . 8.3 t-105 -54.05 -51.38 64.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 108.032 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 94' ' ' GLN . 5.7 m-80 -47.83 -52.68 18.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 93' ' ' ASN . 13.3 mt-30 -34.64 -52.65 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.415 ' O ' ' CD ' ' A' ' 26' ' ' LYS . . . 137.1 -102.79 0.4 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 58.84 174.57 0.57 Allowed Glycine 0 CA--C 1.529 0.969 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -97.95 -43.38 7.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 0.745 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -140.25 158.71 43.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 108.012 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.491 HG23 ' CZ3' ' A' ' 92' ' ' TRP . 2.0 tt -117.41 159.06 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.412 ' N ' ' CG1' ' A' ' 99' ' ' ILE . 2.8 m-20 -112.54 137.26 51.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.441 HD13 ' CD1' ' A' ' 24' ' ' ILE . 39.3 mt -139.24 135.39 33.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 45.6 t -109.58 117.46 54.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.478 ' CG1' ' N ' ' A' ' 67' ' ' GLU . 6.9 t -134.46 149.7 30.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.75 154.4 23.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.1 t -70.03 156.33 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -156.4 118.44 2.22 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 108.296 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 148.56 35.39 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.46 1.769 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 172.2 16.83 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.489 1.783 . . . . 0.0 110.968 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt 70.71 -62.5 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 66.15 117.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -134.69 111.19 9.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.959 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -135.56 -53.65 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.05 168.7 10.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.103 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -142.04 86.52 1.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.331 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 115' ' ' LEU . 1.3 pt? -131.57 -134.12 0.2 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 115' ' ' LEU . 2.7 p 37.48 84.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.361 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.95 -42.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 53.5 p90 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m 63.26 123.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.027 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 63.64 167.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.263 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.4 -151.92 8.99 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -110.36 77.59 1.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 0.778 . . . . 0.0 109.3 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -120.46 64.64 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.7 p -145.51 -53.64 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 110.397 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.46 ' HB3' ' CD1' ' A' ' 75' ' ' ILE . 16.9 mtm -42.7 -50.02 5.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.624 ' CZ ' ' SD ' ' A' ' 69' ' ' MET . 23.5 m-85 -66.83 -160.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.76 169.06 11.05 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -10.73 21.26 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.797 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.4 16.84 21.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.401 ' HG3' ' N ' ' A' ' 14' ' ' ILE . 8.2 tp60 -120.57 -49.91 2.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.401 ' N ' ' HG3' ' A' ' 13' ' ' GLN . 1.1 pt -73.76 -45.7 49.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -42.37 121.9 2.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.79 -50.19 0.98 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -69.92 172.55 7.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 109.235 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.91 86.31 2.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.363 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 62.5 t -80.14 142.5 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -135.96 130.31 33.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.417 HD11 ' N ' ' A' ' 22' ' ' LEU . 3.5 tp -91.46 114.59 27.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.417 ' N ' HD11 ' A' ' 21' ' ' LEU . 36.9 mt -111.76 103.99 12.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.439 ' CZ ' ' OD1' ' A' ' 100' ' ' ASP . 0.6 OUTLIER -83.73 117.74 23.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.32 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.463 HG12 ' CG ' ' A' ' 59' ' ' HIS . 11.9 mt -95.52 155.06 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -92.18 148.31 22.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.582 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 4.0 mttp -98.28 84.05 3.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.91 120.51 29.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.24 -67.05 3.36 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.444 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 3.3 m -177.38 -175.41 0.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.537 ' HB2' ' CD2' ' A' ' 92' ' ' TRP . 58.4 tp -90.29 -79.2 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.425 ' HB3' ' CD2' ' A' ' 51' ' ' TYR . 0.8 OUTLIER 68.72 64.87 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.8 tp -131.32 130.6 42.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.35 152.83 20.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.247 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 72.1 mt -131.72 160.99 33.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.448 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 12.0 pt-20 -153.18 139.24 18.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.461 ' HA2' ' CB ' ' A' ' 40' ' ' SER . . . 93.42 -143.3 16.42 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.504 1.127 . . . . 0.0 110.979 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . 86.04 -71.8 2.79 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.486 ' CG2' HG23 ' A' ' 80' ' ' THR . 2.8 p -59.96 -149.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 0.77 . . . . 0.0 109.347 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.485 ' N ' ' CG1' ' A' ' 38' ' ' VAL . 53.3 p-10 -79.86 51.29 1.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.536 ' CB ' ' CD ' ' A' ' 41' ' ' PRO . 0.7 OUTLIER -89.88 179.9 1.4 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.995 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.536 ' CD ' ' CB ' ' A' ' 40' ' ' SER . 18.4 Cg_endo -74.98 -4.6 15.64 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.529 1.805 . . . . 0.0 111.044 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.476 HG11 ' CG ' ' A' ' 44' ' ' LYS . 7.8 t -101.28 -58.79 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.66 12.1 64.96 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.476 ' CG ' HG11 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -145.59 174.22 11.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 0.798 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.9 t -99.26 114.61 37.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.44 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 21.9 m -127.37 135.19 64.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.5 t -57.79 115.69 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.508 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 6.2 t -67.73 -45.03 76.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.022 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.67 146.97 5.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.4 t -110.0 90.26 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.425 ' CD2' ' HB3' ' A' ' 31' ' ' ASP . 4.1 m-30 -40.11 124.04 1.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 16.1 pt-20 -78.87 53.32 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.363 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -157.5 -39.44 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.35 -161.35 0.48 Allowed Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.56 ' HB2' ' CH2' ' A' ' 92' ' ' TRP . . . -86.05 -34.39 20.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 0.768 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -44.88 -59.76 2.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -52.23 -53.37 44.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.263 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -39.3 -57.75 1.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.463 ' CG ' HG12 ' A' ' 24' ' ' ILE . 9.4 t-80 -41.81 -50.22 4.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.597 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.83 66.21 2.7 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -138.06 -80.46 0.08 OUTLIER Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.9 p -87.25 140.72 15.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.483 0.755 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.0 m -114.73 -173.5 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.508 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.4 OUTLIER -70.2 143.69 52.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.16 -3.57 62.04 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.2 p-10 -56.75 -165.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 0.766 . . . . 0.0 109.312 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -134.45 77.41 1.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.6 mm -70.8 109.44 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.624 ' SD ' ' CZ ' ' A' ' 9' ' ' PHE . 6.2 ptm -95.31 -34.75 12.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.965 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.446 ' N ' ' HG2' ' A' ' 69' ' ' MET . . . -137.59 175.73 9.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 83.4 mt -144.28 107.34 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 53.1 22.75 2.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.404 ' O ' ' SD ' ' A' ' 8' ' ' MET . . . 114.37 -59.45 0.4 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.5 mttp -45.2 112.58 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 0.733 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 8' ' ' MET . 32.9 mt -60.68 133.22 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.419 ' CA ' ' HB2' ' A' ' 79' ' ' TYR . 14.5 m -123.81 23.08 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.456 ' CG2' HG21 ' A' ' 75' ' ' ILE . 81.3 p -65.27 -21.31 66.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.417 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.5 p30 -132.89 28.92 4.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.419 ' HB2' ' CA ' ' A' ' 76' ' ' VAL . 0.7 OUTLIER -95.56 141.71 28.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.105 . . . . 0.0 110.948 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.486 HG23 ' CG2' ' A' ' 38' ' ' VAL . 5.3 p -85.11 156.94 20.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 110.389 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.448 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 4.3 mt -39.64 -63.63 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.28 -59.15 3.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.095 . . . . 0.0 109.323 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -43.06 -68.22 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.333 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -54.59 -65.12 0.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 84' ' ' ALA . 6.9 mt-10 -37.37 -46.88 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.02 -57.53 4.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 88' ' ' LEU . . . -42.58 -65.81 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.467 ' HG ' ' CD2' ' A' ' 30' ' ' LEU . 10.9 tp -40.38 -58.43 1.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' TRP . 11.7 mm100 -49.32 -58.39 5.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -40.23 -57.38 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -47.84 -43.19 27.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.582 ' CZ2' ' HA ' ' A' ' 26' ' ' LYS . 10.3 t-105 -69.07 -46.18 68.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 108.007 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 94' ' ' GLN . 5.2 m-80 -56.99 -44.84 83.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 93' ' ' ASN . 20.5 mt-30 -37.85 -59.8 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.401 ' O ' ' HD3' ' A' ' 26' ' ' LYS . . . 143.33 -104.56 0.35 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 54.83 171.94 0.07 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.543 ' HB3' ' CD2' ' A' ' 98' ' ' TRP . 0.8 OUTLIER -90.19 -43.94 10.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.755 . . . . 0.0 109.309 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.543 ' CD2' ' HB3' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -136.52 175.32 9.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 107.975 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.463 HG22 ' CZ3' ' A' ' 92' ' ' TRP . 5.3 tt -130.58 154.94 41.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.439 ' OD1' ' CZ ' ' A' ' 23' ' ' ARG . 13.1 m-20 -110.63 133.42 53.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.461 ' CD1' ' CD1' ' A' ' 24' ' ' ILE . 12.1 mt -126.3 133.58 51.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.509 ' CG1' ' SD ' ' A' ' 69' ' ' MET . 78.8 t -106.91 120.64 58.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -151.07 148.07 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.57 174.5 5.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.8 t -69.23 157.02 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . 0.569 ' CB ' ' HD3' ' A' ' 107' ' ' PRO . 0.1 OUTLIER -174.15 -61.52 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 108.353 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.569 ' HD3' ' CB ' ' A' ' 106' ' ' CYS . 18.3 Cg_endo -74.99 144.95 30.87 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.439 1.758 . . . . 0.0 110.978 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 178.55 7.11 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 111.002 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.87 -38.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -134.61 -140.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.33 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.404 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 0.1 OUTLIER 57.18 178.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 111.04 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.404 ' CB ' ' O ' ' A' ' 111' ' ' TYR . 2.0 t0 75.87 -67.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -122.63 119.96 32.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -108.1 40.01 1.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.1 tp -92.51 -12.2 32.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 11.4 t -175.1 142.39 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.376 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -42.74 -40.84 2.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.493 ' O ' ' CG ' ' A' ' 118' ' ' PHE . 10.2 p90 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.1 t -167.06 157.08 11.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 0.777 . . . . 0.0 110.036 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -136.54 -72.37 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.344 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.57 152.56 9.29 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.469 1.106 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.25 74.37 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.769 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -112.04 0.5 15.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.0 p -92.49 11.14 27.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.39 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.21 -30.56 7.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -98.89 131.87 44.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.1 160.65 0.65 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.033 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -19.49 17.9 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.516 1.798 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -98.94 14.73 28.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 -112.42 -55.26 2.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.6 pt -65.06 -56.33 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 40.55 77.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.26 -42.19 3.13 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -40.37 107.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -83.17 101.9 11.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.516 ' CG1' ' CG1' ' A' ' 102' ' ' VAL . 99.6 t -78.56 134.29 28.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.4 ' HD2' ' CG2' ' A' ' 105' ' ' VAL . 1.3 mtt180 -126.19 123.66 38.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.2 tp -92.19 103.7 16.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.447 ' CD1' HG23 ' A' ' 62' ' ' VAL . 58.8 mt -94.95 137.26 34.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.568 ' CZ ' ' CE3' ' A' ' 98' ' ' TRP . 0.0 OUTLIER -106.36 116.94 32.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.461 HD12 ' CD1' ' A' ' 101' ' ' LEU . 50.7 mt -100.61 152.66 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 ttmm -81.46 139.03 35.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.574 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 9.9 mttt -89.91 82.2 6.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 2.0 tp10 -129.91 135.58 48.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 43.47 63.46 2.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.503 ' O ' ' CZ2' ' A' ' 92' ' ' TRP . 0.2 OUTLIER 53.26 -161.01 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.759 . . . . 0.0 109.993 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.554 ' HB2' ' CD2' ' A' ' 92' ' ' TRP . 45.5 tp -100.46 -69.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 70.0 74.44 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.466 ' CD1' HG22 ' A' ' 50' ' ' VAL . 4.2 tp -147.06 136.29 22.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.86 146.06 24.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 28.7 mt -128.02 155.91 43.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -155.89 149.09 24.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.272 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.513 ' HA3' HG13 ' A' ' 42' ' ' VAL . . . 106.04 -147.32 16.22 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.677 ' N ' ' HG ' ' A' ' 40' ' ' SER . . . 67.39 -169.4 36.79 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.561 ' CG1' ' N ' ' A' ' 39' ' ' ASP . 1.5 p 36.53 -150.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 0.0 109.263 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.561 ' N ' ' CG1' ' A' ' 38' ' ' VAL . 2.2 m-20 -77.57 54.79 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.677 ' HG ' ' N ' ' A' ' 37' ' ' GLY . 82.4 p -91.44 160.0 37.81 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.986 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.2 Cg_endo -75.05 -1.82 11.74 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.78 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.513 HG13 ' HA3' ' A' ' 36' ' ' GLY . 2.4 p -94.34 -41.35 12.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.7 -0.01 89.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.509 ' HD2' ' CG1' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -150.12 170.45 18.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 38.3 t -88.62 138.22 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.509 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 12.1 m -146.57 134.45 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 63.6 t -63.46 120.02 9.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.441 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 21.7 t -69.25 -49.76 53.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.06 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.56 150.39 7.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.251 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.466 HG22 ' CD1' ' A' ' 32' ' ' LEU . 78.3 t -108.8 99.73 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -49.51 108.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -47.36 -25.15 0.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.49 65.1 1.83 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -165.97 -175.95 36.86 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 27' ' ' GLU . . . -82.78 -29.39 29.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 0.756 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.449 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -54.27 -51.62 63.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 58' ' ' ARG . 7.9 tm-20 -56.82 -53.35 58.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 57' ' ' GLU . 6.8 mtp85 -37.21 -52.27 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.452 ' CG ' HG12 ' A' ' 24' ' ' ILE . 22.8 t-80 -56.07 -64.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.571 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.09 -34.36 4.31 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.1 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -40.2 -62.8 1.45 Allowed Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.447 HG23 ' CD1' ' A' ' 22' ' ' LEU . 3.0 t -89.9 137.52 21.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.1 m -127.18 -156.74 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.441 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.1 OUTLIER -88.06 135.26 33.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.57 -23.4 32.93 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.482 ' HB3' ' CG1' ' A' ' 103' ' ' VAL . 0.5 OUTLIER -41.75 136.15 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 0.733 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -78.31 96.78 5.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 110.238 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.0 mm -78.58 140.04 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.441 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 38.5 mtm -143.04 -48.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -126.49 142.29 51.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 93.1 mt -127.48 115.38 39.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.1 m120 59.93 16.22 5.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.252 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 109.95 -33.03 6.26 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.44 1.088 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -59.39 138.78 57.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.769 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 19.7 mm -79.88 118.94 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' A' ' 69' ' ' MET . 14.5 m -123.76 23.05 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 70.4 p -56.3 -58.84 6.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.401 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -105.16 42.08 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.534 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -94.77 144.87 25.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 81' ' ' LEU . 3.1 p -83.46 156.19 23.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.405 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 85' ' ' GLU . 3.0 mt -39.54 -63.17 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.29 -65.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.534 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 11.3 mt-10 -39.35 -69.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.23 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -51.66 -65.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 84' ' ' ALA . 5.9 mt-10 -36.89 -58.31 0.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 87' ' ' ALA . . . -61.18 -64.83 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 86' ' ' ALA . . . -39.57 -65.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 87' ' ' ALA . 14.8 tp -40.52 -53.37 2.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 92' ' ' TRP . 13.0 mm100 -58.66 -58.89 6.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -39.84 -54.53 2.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.4 ' HA ' ' HG3' ' A' ' 94' ' ' GLN . . . -49.68 -45.47 48.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.576 ' CZ3' HG22 ' A' ' 99' ' ' ILE . 8.2 t-105 -68.46 -48.69 63.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 108.004 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 94' ' ' GLN . 3.2 m-80 -45.75 -41.43 10.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 93' ' ' ASN . 30.8 mt-30 -35.91 -47.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.46 104.07 1.23 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.548 ' N ' ' HZ1' ' A' ' 26' ' ' LYS . . . -147.58 -162.87 10.29 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -95.98 -43.83 7.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.568 ' CE3' ' CZ ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -142.14 145.62 34.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 107.997 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.576 HG22 ' CZ3' ' A' ' 92' ' ' TRP . 8.3 tt -110.7 152.72 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -100.28 138.66 37.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.461 ' CD1' HD12 ' A' ' 24' ' ' ILE . 11.0 mt -142.82 118.23 10.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.516 ' CG1' ' CG1' ' A' ' 19' ' ' VAL . 94.7 t -95.76 129.76 45.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 66' ' ' ASP . 43.0 t -150.25 147.7 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.463 ' N ' HG11 ' A' ' 103' ' ' VAL . . . -85.5 151.32 24.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.4 ' CG2' ' HD2' ' A' ' 20' ' ' ARG . 31.1 t -71.94 152.22 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.8 t -142.0 121.02 7.84 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 108.316 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 171.95 17.33 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.495 1.787 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 118.92 5.41 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.515 1.797 . . . . 0.0 110.969 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.94 -48.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 38.95 51.43 1.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -112.83 140.47 47.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 111.042 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -79.29 146.44 32.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 33.0 p-10 179.55 115.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -110.83 -29.5 7.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.24 -140.74 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.165 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.2 t -156.67 -45.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 110.409 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -66.7 -64.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.32 -59.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.975 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.49 118.15 13.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.283 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.44 139.97 3.98 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.56 -62.38 1.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 0.0 109.26 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -47.94 -56.95 6.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.6 p -39.38 -55.74 1.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -40.88 -42.06 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -93.14 176.41 6.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.72 157.51 46.41 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.941 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -12.93 21.47 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.533 1.807 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -105.98 14.57 27.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -116.55 -53.98 2.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.281 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.2 pt -66.32 -35.34 74.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.14 124.37 7.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.88 -37.78 3.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -69.67 169.55 12.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.787 . . . . 0.0 109.299 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -126.02 90.97 3.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -112.42 122.39 66.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -115.34 159.44 21.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.7 tp -120.23 105.78 11.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 mt -102.07 132.71 47.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.461 ' HD3' ' CB ' ' A' ' 98' ' ' TRP . 0.3 OUTLIER -98.01 101.91 13.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.294 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.532 ' HA ' ' CD2' ' A' ' 59' ' ' HIS . 10.6 mt -85.49 155.12 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -96.01 141.44 29.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.422 ' HE3' ' HB ' ' A' ' 99' ' ' ILE . 22.7 mttt -88.64 74.69 8.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -125.36 149.64 47.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 110.302 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.05 -80.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 27' ' ' GLU . 3.4 m 179.67 161.44 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 0.733 . . . . 0.0 110.024 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.508 ' HB2' ' CD2' ' A' ' 92' ' ' TRP . 39.2 tp -73.11 -77.84 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 68.36 59.34 0.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.455 ' CD1' ' HB ' ' A' ' 50' ' ' VAL . 9.1 tp -124.43 128.68 49.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.1 151.82 19.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 23.5 mt -131.3 156.66 45.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -153.57 161.78 41.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 110.326 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.448 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . 93.05 -130.8 10.49 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.465 ' O ' HG13 ' A' ' 38' ' ' VAL . . . 52.49 174.55 0.04 OUTLIER Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.477 ' CG1' ' N ' ' A' ' 39' ' ' ASP . 2.0 p 48.31 -154.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 0.729 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.477 ' N ' ' CG1' ' A' ' 38' ' ' VAL . 4.5 t0 -70.13 56.55 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.46 ' OG ' ' O ' ' A' ' 37' ' ' GLY . 13.0 p -96.41 159.93 30.78 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.2 Cg_endo -75.03 -3.87 14.56 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.48 ' CG2' ' HG3' ' A' ' 44' ' ' LYS . 1.6 p -91.1 -38.71 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.02 -0.81 86.71 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.488 1.118 . . . . 0.0 111.039 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.485 ' HD2' ' CG1' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -149.88 -175.22 4.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 109.294 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.5 t -98.63 138.02 24.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.485 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 4.9 m -146.41 132.46 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 69.1 t -59.51 119.92 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.0 t -70.66 -49.83 43.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.028 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -167.25 148.12 5.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.329 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.47 HG21 ' CB ' ' A' ' 56' ' ' ALA . 3.9 p -122.04 89.73 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -45.3 114.98 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 111.043 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -46.91 -25.16 0.72 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.88 44.01 3.28 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -134.82 -171.02 12.35 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.58 ' HB1' ' CH2' ' A' ' 92' ' ' TRP . . . -90.83 -26.15 19.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 0.797 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.47 ' CB ' HG21 ' A' ' 50' ' ' VAL . . . -59.02 -51.78 68.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.432 1.083 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -64.54 -44.77 89.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -47.34 -31.06 3.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 0.0 110.29 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.532 ' CD2' ' HA ' ' A' ' 24' ' ' ILE . 56.4 t-80 -79.06 -60.38 2.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.596 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.74 136.2 7.05 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 125.13 -46.0 1.12 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.405 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 1.5 p -99.8 119.83 48.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.451 ' N ' ' OD2' ' A' ' 66' ' ' ASP . 4.5 m -127.86 -157.62 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -82.21 149.55 27.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.097 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.1 -15.11 60.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.487 ' HB3' ' CG2' ' A' ' 103' ' ' VAL . 0.6 OUTLIER -47.31 169.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 0.786 . . . . 0.0 109.326 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -114.72 75.6 0.94 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.7 mm -62.23 134.98 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 26.7 mtm -130.83 -43.67 1.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.418 ' CB ' ' HB ' ' A' ' 102' ' ' VAL . . . -136.66 130.28 31.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 7.8 mt -112.27 107.29 22.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 71' ' ' ILE . 4.2 t-20 81.04 -55.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 170.11 40.09 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.83 112.31 7.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 0.767 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.7 mt -52.6 125.95 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.412 ' CA ' ' HB2' ' A' ' 79' ' ' TYR . 24.5 m -124.22 17.56 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 32.0 p -59.65 -40.21 86.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.6 37.62 3.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.429 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -101.6 158.03 16.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.468 HG21 ' CB ' ' A' ' 38' ' ' VAL . 6.0 p -96.74 156.59 16.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.401 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 85' ' ' GLU . 5.0 mt -39.44 -63.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.52 -66.31 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.429 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 54.7 mt-10 -38.82 -69.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -51.42 -65.47 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 84' ' ' ALA . 7.8 mt-10 -36.81 -52.2 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.06 -61.05 2.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.42 -48.24 3.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.5 tp -57.32 -54.15 50.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 90' ' ' LYS . 15.4 mt-30 -57.6 -60.9 2.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.14 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 89' ' ' GLN . 4.6 mmtm -37.54 -39.64 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 94' ' ' GLN . . . -61.14 -67.28 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.58 ' CH2' ' HB1' ' A' ' 55' ' ' ALA . 8.7 t-105 -54.54 -42.3 70.77 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.485 ' O ' ' C ' ' A' ' 94' ' ' GLN . 19.4 m-20 -49.51 -47.06 49.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.087 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.485 ' C ' ' O ' ' A' ' 93' ' ' ASN . 26.1 mt-30 -32.38 -58.72 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 98.63 60.39 0.89 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -99.25 -160.97 29.31 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.536 ' HB3' ' CD2' ' A' ' 98' ' ' TRP . 28.9 m-20 -98.41 -45.14 6.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.536 ' CD2' ' HB3' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -138.01 166.52 23.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 0.0 108.02 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.573 HG23 ' CZ3' ' A' ' 92' ' ' TRP . 8.5 tt -136.53 165.47 28.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.443 ' N ' ' CG1' ' A' ' 99' ' ' ILE . 2.6 m-20 -126.87 138.82 53.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 80.5 mt -131.2 112.94 13.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.418 ' HB ' ' CB ' ' A' ' 70' ' ' ALA . 53.8 t -90.66 103.32 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.489 HG22 ' N ' ' A' ' 104' ' ' ALA . 2.0 p -140.4 141.17 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.489 ' N ' HG22 ' A' ' 103' ' ' VAL . . . -77.97 150.82 33.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 58.9 t -72.54 142.61 14.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 49.7 t -175.1 125.96 0.38 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 108.281 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 161.26 38.96 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.455 1.766 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 170.28 20.75 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.464 1.771 . . . . 0.0 110.98 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.85 -46.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 66.93 115.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.31 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -146.2 126.66 14.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -174.91 166.57 3.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -138.52 144.05 39.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -170.87 87.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 116' ' ' THR . 0.9 OUTLIER -127.11 -133.82 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.413 ' N ' ' HG ' ' A' ' 115' ' ' LEU . 75.4 p 37.97 65.89 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.38 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -160.91 -44.57 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 41.9 p90 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -63.26 142.88 58.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 179.8 -59.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.77 147.59 12.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.115 . . . . 0.0 111.031 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -96.4 126.05 41.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 0.759 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 8' ' ' MET . . . -123.13 -139.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 68.45 -60.64 0.42 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 110.39 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -55.36 -41.28 72.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -87.09 153.97 21.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.37 159.11 82.53 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -14.51 21.22 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.475 1.776 . . . . 0.0 111.019 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.45 11.12 32.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -111.68 -41.95 3.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 110.32 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.2 pt -81.27 -32.82 12.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.17 118.93 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.33 -45.82 2.41 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.459 1.099 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.6 mttm -62.57 148.67 45.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 0.772 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 104' ' ' ALA . 5.2 m-20 -104.13 85.3 2.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.426 ' HA ' ' HA ' ' A' ' 104' ' ' ALA . 0.7 OUTLIER -88.02 117.79 32.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.1 mtp85 -123.62 135.19 53.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.274 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 27.0 tp -95.98 133.42 40.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.451 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 31.9 mt -130.9 141.72 50.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.83 120.68 41.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.6 mt -103.49 152.46 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.41 143.91 25.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.565 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 13.1 mttt -89.14 79.71 7.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -130.85 125.1 32.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.12 -78.13 2.03 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.5 m 179.95 173.09 0.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 110.051 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 27.9 tp -87.88 -77.31 0.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 63.13 55.27 1.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.465 HD11 ' CB ' ' A' ' 56' ' ' ALA . 19.9 tp -117.12 130.91 56.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.148 . . . . 0.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.43 145.7 24.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 76.0 mt -129.62 159.72 35.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.454 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 11.3 pt-20 -155.53 155.57 33.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.458 ' HA3' HG13 ' A' ' 42' ' ' VAL . . . 104.93 -136.42 13.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.419 1.074 . . . . 0.0 110.985 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.571 ' N ' ' HG ' ' A' ' 40' ' ' SER . . . 59.48 -174.77 3.72 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.556 ' CG1' ' N ' ' A' ' 39' ' ' ASP . 0.5 OUTLIER 41.17 -157.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.748 . . . . 0.0 109.319 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.556 ' N ' ' CG1' ' A' ' 38' ' ' VAL . 11.7 t0 -70.83 57.99 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.571 ' HG ' ' N ' ' A' ' 37' ' ' GLY . 54.7 p -95.44 160.43 30.57 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.96 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.444 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.2 Cg_endo -74.98 -4.73 15.84 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.476 1.777 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.472 ' CG2' ' HG3' ' A' ' 44' ' ' LYS . 2.4 p -89.46 -40.09 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.1 5.4 89.04 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.132 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.472 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -155.93 171.96 19.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.9 t -93.96 142.88 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.427 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 13.2 m -146.12 -167.09 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.4 t -106.22 135.65 43.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.6 t -94.14 -46.02 7.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.016 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.93 148.82 6.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.2 p -120.88 91.37 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.249 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -49.46 116.19 1.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -41.8 -30.75 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.337 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.91 54.75 4.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.499 1.124 . . . . 0.0 111.047 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -147.32 -165.59 11.91 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.608 ' CB ' ' CH2' ' A' ' 92' ' ' TRP . . . -90.72 -48.56 6.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.465 ' CB ' HD11 ' A' ' 32' ' ' LEU . . . -42.05 -45.69 3.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.401 ' CD ' ' C ' ' A' ' 57' ' ' GLU . 10.1 tm-20 -53.08 -56.59 15.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -43.09 -42.23 3.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.451 ' CE1' ' HB3' ' A' ' 22' ' ' LEU . 38.2 t-80 -61.88 -65.68 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.608 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.93 -52.79 1.43 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -44.11 -47.67 8.12 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.424 HG21 ' CD1' ' A' ' 22' ' ' LEU . 2.7 t -89.03 128.1 41.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.5 m -135.55 -168.31 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.09 153.5 38.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.06 40.17 96.83 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.416 ' HB3' ' CG2' ' A' ' 103' ' ' VAL . 0.5 OUTLIER -88.45 172.63 9.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 109.26 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.94 58.64 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.1 mm -62.12 142.86 15.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.492 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 37.7 mtm -142.31 -45.69 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -131.23 145.38 51.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.429 ' CD1' ' HB2' ' A' ' 88' ' ' LEU . 40.6 mt -118.76 107.2 21.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 67.12 18.89 10.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 112.7 -42.98 1.81 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.564 1.165 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.47 130.42 35.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 0.751 . . . . 0.0 109.297 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 6.9 mt -75.11 126.2 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 69' ' ' MET . 12.1 m -123.58 15.71 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 33.4 p -60.1 -22.28 62.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 110.388 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -131.81 31.18 4.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.486 ' CD2' HG13 ' A' ' 76' ' ' VAL . 0.4 OUTLIER -95.09 148.21 22.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.481 HG23 ' CB ' ' A' ' 38' ' ' VAL . 6.7 p -88.79 156.86 18.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.398 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.454 ' CD2' ' HA ' ' A' ' 35' ' ' GLU . 4.8 mt -40.13 -64.16 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.64 -59.49 3.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -43.76 -69.39 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 110.334 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -52.67 -65.39 0.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 84' ' ' ALA . 5.1 mt-10 -36.85 -50.1 0.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.321 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.2 -52.1 38.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.24 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -45.35 -68.93 0.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.429 ' HB2' ' CD1' ' A' ' 71' ' ' ILE . 35.1 tp -42.49 -62.76 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 90' ' ' LYS . 15.9 mm100 -47.52 -66.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 89' ' ' GLN . 2.1 mmtm -36.91 -42.07 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.472 ' HB2' ' CD1' ' A' ' 99' ' ' ILE . . . -59.77 -57.35 13.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.608 ' CH2' ' CB ' ' A' ' 55' ' ' ALA . 13.6 t-105 -60.56 -44.44 96.16 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 94' ' ' GLN . 2.8 m-80 -47.59 -44.08 26.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 93' ' ' ASN . 15.2 mt-30 -36.68 -51.75 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.59 22.98 8.6 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -59.62 -175.24 0.89 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -89.5 -43.83 10.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 0.78 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -142.27 168.43 19.75 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.472 ' CD1' ' HB2' ' A' ' 91' ' ' ALA . 4.5 tt -137.66 143.14 34.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.34 129.66 54.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.075 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 56.2 mt -120.16 113.85 21.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.264 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 78.0 t -82.19 105.26 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 109.267 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.416 ' CG2' ' HB3' ' A' ' 66' ' ' ASP . 2.1 p -145.3 140.38 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 18' ' ' ASP . . . -85.04 148.63 26.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.452 ' CG1' ' HB3' ' A' ' 18' ' ' ASP . 10.3 p -77.84 147.66 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . 0.428 ' N ' HG21 ' A' ' 105' ' ' VAL . 27.5 t -132.08 131.57 22.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 108.285 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 155.5 43.1 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 111.027 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 109.63 2.97 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -137.31 -52.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 69.12 110.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 110.264 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -120.87 -177.58 3.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -103.46 -54.04 2.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 61.9 121.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -110.63 -42.05 4.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -132.45 -98.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 118' ' ' PHE . 2.2 t -176.28 139.34 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.42 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -64.94 76.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 111.058 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 116' ' ' THR . 2.5 m-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.4 m 58.38 83.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 0.732 . . . . 0.0 109.991 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -71.86 85.69 0.96 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.162 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.59 85.02 0.05 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.57 135.91 56.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 176.76 53.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.7 p -128.43 -48.25 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 0.0 110.434 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -49.67 -51.43 38.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -64.63 166.95 7.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.38 161.14 65.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -19.3 17.89 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.67 17.93 20.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 110.335 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -117.73 -54.09 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.4 pt -66.17 -40.63 87.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.17 125.08 8.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.06 -47.91 1.47 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.458 1.099 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -66.51 -179.4 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.78 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -134.15 85.88 2.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 70.5 t -88.88 140.3 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.456 ' HG3' ' CG2' ' A' ' 105' ' ' VAL . 0.7 OUTLIER -137.83 132.85 33.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.1 tp -98.1 122.17 40.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.5 mt -111.3 149.53 30.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.573 ' HD2' ' CE3' ' A' ' 98' ' ' TRP . 22.3 ttp180 -116.79 108.79 16.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.516 HG12 ' CG ' ' A' ' 59' ' ' HIS . 81.6 mt -100.81 138.39 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.403 ' N ' HG23 ' A' ' 24' ' ' ILE . 14.2 ttpt -74.06 142.95 45.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.566 1.166 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.567 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -91.06 79.11 5.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -135.67 137.51 41.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 52.3 66.61 2.52 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 p 44.33 -167.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 0.755 . . . . 0.0 109.978 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.52 ' HB2' ' CD2' ' A' ' 92' ' ' TRP . 42.7 tp -104.9 -63.01 1.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 60.13 81.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.4 tp -142.1 134.34 27.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.78 132.69 39.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.8 mt -121.22 156.49 32.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -156.49 144.03 19.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.504 ' HA3' HG12 ' A' ' 42' ' ' VAL . . . 114.12 -156.84 15.36 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.471 1.107 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.51 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . 70.71 -168.36 49.52 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.55 ' CG1' ' N ' ' A' ' 39' ' ' ASP . 2.7 p 33.27 -146.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 0.725 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.55 ' N ' ' CG1' ' A' ' 38' ' ' VAL . 1.9 t0 -80.32 50.34 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 96.6 p -88.13 159.91 47.1 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.975 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.3 Cg_endo -75.02 5.35 4.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.547 ' CG2' ' HG3' ' A' ' 44' ' ' LYS . 1.7 p -108.52 -49.23 7.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.07 1.78 66.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.547 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -145.95 178.05 8.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.2 t -100.0 121.71 51.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.2 m -132.72 135.31 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.419 ' CG1' ' HA ' ' A' ' 64' ' ' LYS . 43.7 t -57.51 129.24 19.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.493 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 4.4 t -83.38 -44.21 15.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.038 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.59 147.52 6.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.31 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.6 t -105.86 90.19 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -47.21 108.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.458 ' HA ' ' CB ' ' A' ' 57' ' ' GLU . 4.8 pt-20 -50.78 -24.15 3.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.49 45.61 2.57 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -145.25 -165.31 11.16 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.573 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -91.31 -32.94 15.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 0.777 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.62 -58.19 6.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.458 ' CB ' ' HA ' ' A' ' 52' ' ' GLU . 5.9 tp10 -58.63 -45.44 89.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.349 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.19 -54.96 7.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.343 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.516 ' CG ' HG12 ' A' ' 24' ' ' ILE . 16.6 t-80 -48.04 -65.7 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.575 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.77 129.98 1.43 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.459 1.099 . . . . 0.0 111.034 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 163.7 -64.91 0.24 Allowed Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.3 p -122.38 143.73 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.567 0.804 . . . . 0.0 109.267 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.2 m -100.11 -169.19 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.493 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.2 OUTLIER -61.65 159.79 12.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.81 -18.17 57.98 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.482 ' HB2' ' CG2' ' A' ' 103' ' ' VAL . 10.3 p-10 -42.03 161.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.41 ' N ' ' CG2' ' A' ' 103' ' ' VAL . 1.8 mt-10 -104.06 79.47 1.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.418 ' CD1' ' OD2' ' A' ' 66' ' ' ASP . 2.8 mm -63.26 143.06 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.434 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 8.6 mtm -143.25 -50.9 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -128.33 134.13 48.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.588 1.18 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.501 ' O ' ' HB2' ' A' ' 72' ' ' ASN . 75.0 mt -106.16 107.66 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.501 ' HB2' ' O ' ' A' ' 71' ' ' ILE . 1.8 m120 75.59 -52.83 0.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -168.62 -39.98 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.14 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.13 152.9 15.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.4 mt -91.32 125.56 44.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.347 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.462 ' CA ' ' HB2' ' A' ' 79' ' ' TYR . 12.7 m -123.73 16.93 4.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 42.5 p -56.35 -37.69 70.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 110.393 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -119.1 36.67 4.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.528 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -96.05 155.17 16.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.981 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 81' ' ' LEU . 16.7 p -92.01 155.6 17.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.416 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 85' ' ' GLU . 3.4 mt -39.64 -64.09 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.65 -62.95 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.346 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.528 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 13.5 mt-10 -40.21 -68.7 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -53.61 -65.08 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 84' ' ' ALA . 4.7 mt-10 -36.92 -60.01 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 87' ' ' ALA . . . -60.65 -60.24 4.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 86' ' ' ALA . . . -39.46 -59.03 1.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 13.4 tp -47.98 -55.83 9.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 92' ' ' TRP . 3.3 mt-30 -48.29 -61.54 1.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 93' ' ' ASN . 31.1 mttt -39.87 -63.66 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.428 ' HB2' ' ND2' ' A' ' 72' ' ' ASN . . . -39.82 -41.39 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.573 ' CH2' ' HB3' ' A' ' 55' ' ' ALA . 20.2 t-105 -70.65 -50.13 39.97 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 90' ' ' LYS . 19.0 m-80 -54.96 -44.14 74.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.243 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 93' ' ' ASN . 11.4 mt-30 -37.35 -36.76 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 96' ' ' GLY . . . 119.16 -95.74 0.62 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 95' ' ' GLY . . . 50.15 175.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -98.28 -44.67 6.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.573 ' CE3' ' HD2' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -142.22 141.06 32.5 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.494 ' HB ' ' CE ' ' A' ' 26' ' ' LYS . 13.7 tt -96.25 161.92 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.152 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -117.46 140.54 49.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 64.9 mt -128.8 121.69 28.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 41.7 t -102.19 98.39 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.482 ' CG2' ' HB2' ' A' ' 66' ' ' ASP . 1.4 p -136.38 147.35 27.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.428 ' N ' HG22 ' A' ' 103' ' ' VAL . . . -72.12 164.48 26.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.456 ' CG2' ' HG3' ' A' ' 20' ' ' ARG . 88.7 t -82.73 145.1 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 42.6 t -175.76 116.48 0.29 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 108.282 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 165.5 31.09 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.494 1.786 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 111.75 3.4 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.465 1.771 . . . . 0.0 110.961 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 176.5 -36.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -87.1 43.55 1.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.468 ' CG ' ' O ' ' A' ' 111' ' ' TYR . 1.8 t80 -91.27 91.89 8.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -140.34 136.79 33.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.3 t0 177.67 -50.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 38.33 87.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.449 ' CG ' ' O ' ' A' ' 115' ' ' LEU . 0.6 OUTLIER -177.36 49.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.2 p -141.43 74.19 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.417 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -50.36 -27.43 6.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.974 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.1 t -172.98 -44.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.379 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.78 -37.71 6.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -77.08 179.91 5.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.66 163.59 25.55 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -21.19 16.16 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.52 1.8 . . . . 0.0 111.04 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.53 11.85 38.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.348 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -111.34 -44.54 3.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.3 pt -78.74 -55.36 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.355 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 57.1 68.93 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 42.58 34.82 1.84 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.53 1.144 . . . . 0.0 110.954 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.15 172.46 2.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 0.784 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -115.25 86.07 2.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.418 ' HA ' ' HA ' ' A' ' 104' ' ' ALA . 0.1 OUTLIER -111.16 153.34 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.418 1.073 . . . . 0.0 109.285 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.424 ' HG3' HG23 ' A' ' 105' ' ' VAL . 0.5 OUTLIER -131.48 171.4 13.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.259 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.73 HD11 ' HB3' ' A' ' 100' ' ' ASP . 14.8 tp -123.7 96.88 5.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.433 HD11 ' CG1' ' A' ' 62' ' ' VAL . 25.0 mt -89.13 140.67 29.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.86 117.97 31.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.553 HD12 HD12 ' A' ' 101' ' ' LEU . 96.5 mt -105.24 141.95 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.406 ' O ' ' CH2' ' A' ' 92' ' ' TRP . 5.9 ttpp -76.97 138.77 39.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.574 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 41.8 mttt -84.21 60.09 5.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -134.8 127.45 30.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.341 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.1 34.17 15.56 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.529 ' O ' ' CZ2' ' A' ' 92' ' ' TRP . 4.9 p 63.01 -177.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 109.996 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.522 ' HB2' ' CD2' ' A' ' 92' ' ' TRP . 26.0 tp -94.86 -67.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 58.33 81.56 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.446 HD13 ' CB ' ' A' ' 56' ' ' ALA . 15.9 tp -145.25 146.19 31.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -115.83 142.0 47.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.511 HD23 ' HA ' ' A' ' 47' ' ' VAL . 30.1 mt -126.6 156.99 40.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.814 ' HA ' HD21 ' A' ' 81' ' ' LEU . 10.5 pt-20 -156.12 140.29 16.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.12 -143.69 18.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 38' ' ' VAL . . . 60.38 -161.59 20.81 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.792 HG13 ' N ' ' A' ' 39' ' ' ASP . 1.6 p 35.14 -150.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.792 ' N ' HG13 ' A' ' 38' ' ' VAL . 4.6 m-20 -88.45 51.22 2.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.6 170.67 8.18 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -6.74 18.44 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.497 1.788 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.819 HG12 ' HG2' ' A' ' 44' ' ' LYS . 72.3 t -87.68 -58.31 3.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.35 19.45 58.68 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.819 ' HG2' HG12 ' A' ' 42' ' ' VAL . 23.0 pttt -163.7 177.65 8.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.776 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 32.6 t -102.14 118.18 48.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 35' ' ' GLU . 29.6 m -131.15 135.03 60.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.511 ' HA ' HD23 ' A' ' 34' ' ' LEU . 42.6 t -58.12 116.48 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.423 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 13.1 t -66.87 -47.71 71.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.55 149.61 6.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 86.1 t -105.71 93.14 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.3 m-30 -44.88 117.73 1.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.85 -21.22 63.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -104.09 54.12 0.67 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.445 1.091 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -153.38 -179.26 28.7 Favored Glycine 0 CA--C 1.529 0.947 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.576 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -78.68 -18.53 54.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 0.76 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.446 ' CB ' HD13 ' A' ' 32' ' ' LEU . . . -64.29 -55.22 22.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 58' ' ' ARG . 12.8 tm-20 -58.09 -50.69 72.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 57' ' ' GLU . 3.1 mtt-85 -37.72 -53.14 1.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.408 ' CB ' HG12 ' A' ' 24' ' ' ILE . 70.6 t60 -57.48 -65.81 0.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.588 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.34 -147.81 19.74 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.12 -80.39 1.11 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.433 ' CG1' HD11 ' A' ' 22' ' ' LEU . 11.9 m -88.52 156.17 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 0.744 . . . . 0.0 109.363 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.406 ' O ' ' CG ' ' A' ' 66' ' ' ASP . 3.9 m -140.34 179.05 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.423 ' CD ' ' O ' ' A' ' 48' ' ' SER . 5.1 ttpp -45.52 152.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.15 -1.33 77.02 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.757 ' HB3' HG21 ' A' ' 103' ' ' VAL . 68.3 m-20 -60.15 178.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.853 ' C ' HG23 ' A' ' 103' ' ' VAL . 0.8 OUTLIER -123.01 79.12 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.311 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.814 HD13 ' HB ' ' A' ' 103' ' ' VAL . 4.8 mm -67.61 140.46 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.818 ' O ' HG22 ' A' ' 76' ' ' VAL . 44.5 mtm -139.65 -46.15 0.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.742 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -127.24 144.18 51.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.605 HD12 HG11 ' A' ' 76' ' ' VAL . 41.0 mt -124.88 110.51 25.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.21 18.07 5.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.96 45.3 2.89 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.75 ' O ' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -135.99 101.89 4.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 0.758 . . . . 0.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.493 HG23 HG23 ' A' ' 77' ' ' THR . 6.6 mt -52.14 117.75 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.818 HG22 ' O ' ' A' ' 69' ' ' MET . 35.3 m -123.55 21.09 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.493 HG23 HG23 ' A' ' 75' ' ' ILE . 28.2 p -63.03 -23.22 67.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.401 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.07 26.98 6.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.563 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.3 OUTLIER -96.31 151.64 19.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.718 HG22 HG23 ' A' ' 38' ' ' VAL . 1.9 p -91.15 157.15 17.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.367 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.814 HD21 ' HA ' ' A' ' 35' ' ' GLU . 3.5 mt -39.64 -63.89 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -48.08 -65.16 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.563 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 34.6 mt-10 -38.89 -68.94 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -52.59 -66.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 84' ' ' ALA . 6.8 mt-10 -37.11 -61.84 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.09 -55.78 30.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.87 -68.66 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.442 ' HB2' HD13 ' A' ' 71' ' ' ILE . 6.7 tp -41.25 -51.02 3.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 90' ' ' LYS . 0.2 OUTLIER -50.89 -58.72 5.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 89' ' ' GLN . 8.7 mttm -38.49 -53.7 1.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 88' ' ' LEU . . . -47.4 -68.78 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.592 ' CZ3' HG21 ' A' ' 99' ' ' ILE . 5.3 t-105 -50.38 -49.84 53.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 108.019 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 94' ' ' GLN . 1.3 m120 -44.35 -50.58 9.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 93' ' ' ASN . 22.1 mt-30 -35.21 -43.02 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 110.346 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 96.98 31.58 6.88 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.467 ' CA ' ' HD3' ' A' ' 26' ' ' LYS . . . -64.07 -171.28 2.18 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -97.21 -44.55 6.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 0.751 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -142.35 162.73 34.73 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.592 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 1.9 tt -131.27 129.42 62.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.73 ' HB3' HD11 ' A' ' 21' ' ' LEU . 2.9 m-20 -96.91 108.9 21.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.553 HD12 HD12 ' A' ' 24' ' ' ILE . 95.2 mt -96.74 125.15 40.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.742 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 19.1 t -100.67 100.72 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.853 HG23 ' C ' ' A' ' 67' ' ' GLU . 1.3 p -134.83 140.84 44.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.418 ' HA ' ' HA ' ' A' ' 19' ' ' VAL . . . -71.88 168.96 16.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.424 HG23 ' HG3' ' A' ' 20' ' ' ARG . 41.4 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.442 HG23 ' N ' ' A' ' 8' ' ' MET . 2.1 t -167.75 -52.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 110.413 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.442 ' N ' HG23 ' A' ' 7' ' ' THR . 1.2 mpp? -51.53 -34.66 37.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -76.85 163.08 27.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 0.0 111.042 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.88 167.96 28.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.02 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -34.01 4.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.461 1.769 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -89.26 19.69 4.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -117.27 -52.46 2.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.423 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 4.5 pt -76.8 -57.89 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.411 ' N ' ' CG1' ' A' ' 14' ' ' ILE . . . 62.93 -128.81 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.02 28.39 12.95 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 7.1 mttp -69.44 168.01 15.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.763 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -128.27 89.46 2.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 103' ' ' VAL . 1.0 OUTLIER -117.09 149.78 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.488 ' HG3' HG23 ' A' ' 105' ' ' VAL . 2.1 mtt180 -129.46 176.43 7.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 22' ' ' LEU . 3.4 tp -123.26 121.55 36.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.432 ' N ' HD12 ' A' ' 21' ' ' LEU . 19.7 mt -111.38 122.15 47.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.604 ' NH2' ' CH2' ' A' ' 98' ' ' TRP . 0.0 OUTLIER -93.88 125.31 38.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 110.324 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.79 HD12 HD12 ' A' ' 101' ' ' LEU . 59.7 mt -109.5 155.59 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.77 149.51 21.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.563 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 11.2 mttt -101.39 83.96 2.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -123.91 131.28 53.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.17 -80.03 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.485 1.116 . . . . 0.0 111.055 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -158.69 175.88 13.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 0.742 . . . . 0.0 110.001 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.841 HD21 HD21 ' A' ' 88' ' ' LEU . 26.6 tp -101.26 -38.16 8.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 41.37 64.9 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.747 HD11 ' CG1' ' A' ' 47' ' ' VAL . 47.1 tp -124.53 141.64 51.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.44 ' O ' HD23 ' A' ' 34' ' ' LEU . . . -107.47 148.46 29.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.697 HD23 ' HA ' ' A' ' 47' ' ' VAL . 46.2 mt -130.43 157.46 42.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.914 ' HA ' HD21 ' A' ' 81' ' ' LEU . 21.2 pt-20 -155.9 152.87 28.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.93 -144.65 16.72 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.474 ' O ' ' C ' ' A' ' 38' ' ' VAL . . . 64.4 -161.72 38.08 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.797 HG13 ' N ' ' A' ' 39' ' ' ASP . 1.9 p 34.72 -149.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 109.347 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.797 ' N ' HG13 ' A' ' 38' ' ' VAL . 5.7 m-20 -89.64 50.98 1.99 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.475 ' CB ' ' CD ' ' A' ' 41' ' ' PRO . 0.9 OUTLIER -93.96 176.92 2.14 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 109.992 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 40' ' ' SER . 18.2 Cg_endo -75.06 -20.83 16.37 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.539 1.81 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.76 HG12 ' HG2' ' A' ' 44' ' ' LYS . 54.0 t -73.57 -66.39 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.79 25.77 19.19 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.76 ' HG2' HG12 ' A' ' 42' ' ' VAL . 18.5 pttt -171.23 176.09 4.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.5 t -99.63 116.82 43.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.4 m -135.91 133.77 50.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.747 ' CG1' HD11 ' A' ' 32' ' ' LEU . 74.8 t -58.92 117.2 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.502 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 44.0 t -70.49 -47.77 58.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.64 132.79 2.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 109.256 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.588 HG23 ' HB3' ' A' ' 56' ' ' ALA . 2.6 p -103.39 99.05 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -52.6 121.06 6.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -50.39 -23.06 2.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.31 49.33 3.22 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -145.95 177.46 24.31 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.537 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -75.47 -40.83 56.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.736 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.588 ' HB3' HG23 ' A' ' 50' ' ' VAL . . . -41.95 -59.98 1.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -54.62 -42.57 71.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.39 -49.6 44.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.278 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.448 ' NE2' ' O ' ' A' ' 23' ' ' ARG . 49.6 t-80 -50.31 -63.79 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.602 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.18 79.27 1.27 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.54 1.15 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -179.86 -56.89 0.08 OUTLIER Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.597 HG11 HD11 ' A' ' 24' ' ' ILE . 7.3 p -91.38 119.65 39.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 0.746 . . . . 0.0 109.35 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.9 m -123.78 -161.17 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.502 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.5 OUTLIER -74.98 138.48 42.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 104.86 -21.76 35.39 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.467 1.105 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.925 ' HB3' HG11 ' A' ' 103' ' ' VAL . 0.5 OUTLIER -52.32 130.8 31.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 109.266 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.777 ' O ' HG13 ' A' ' 103' ' ' VAL . 2.2 mt-10 -78.24 98.87 6.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.719 HD13 HG22 ' A' ' 103' ' ' VAL . 4.7 mm -77.68 136.47 24.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.546 ' O ' HG22 ' A' ' 76' ' ' VAL . 17.2 mtm -131.92 -46.32 0.94 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.097 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.566 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -130.04 146.65 51.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.671 HD13 ' HB2' ' A' ' 88' ' ' LEU . 37.5 mt -125.29 107.99 19.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 63.22 15.08 8.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 120.19 -52.71 0.71 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.24 136.15 25.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 0.748 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.707 HG23 HG23 ' A' ' 77' ' ' THR . 48.5 mt -78.35 133.38 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.546 HG22 ' O ' ' A' ' 69' ' ' MET . 15.2 m -123.36 22.93 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.707 HG23 HG23 ' A' ' 75' ' ' ILE . 28.9 p -59.36 -55.06 39.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.104 . . . . 0.0 110.404 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -103.04 35.58 2.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.443 ' CG ' ' HA ' ' A' ' 76' ' ' VAL . 0.3 OUTLIER -96.21 147.14 24.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.118 . . . . 0.0 110.999 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.654 HG22 HG23 ' A' ' 38' ' ' VAL . 2.6 p -89.61 157.05 18.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.434 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.914 HD21 ' HA ' ' A' ' 35' ' ' GLU . 3.6 mt -40.79 -63.03 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.75 -57.88 5.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.67 -68.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -54.46 -64.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 84' ' ' ALA . 11.0 mt-10 -37.47 -56.13 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 87' ' ' ALA . . . -63.16 -59.22 5.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 86' ' ' ALA . . . -40.29 -67.12 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.841 HD21 HD21 ' A' ' 30' ' ' LEU . 39.4 tp -40.84 -60.05 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.404 ' OE1' ' HA ' ' A' ' 89' ' ' GLN . 13.0 mm-40 -48.95 -58.93 4.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 93' ' ' ASN . 20.4 mttt -41.16 -65.58 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -42.07 -44.21 3.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.757 ' CZ3' HD13 ' A' ' 30' ' ' LEU . 10.8 t-105 -65.29 -47.03 78.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 107.98 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 90' ' ' LYS . 14.4 m120 -59.0 -46.2 88.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 93' ' ' ASN . 14.5 mt-30 -37.13 -54.74 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 96' ' ' GLY . . . 142.3 -99.58 0.24 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.544 1.153 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 95' ' ' GLY . . . 52.2 172.81 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -97.78 -43.9 6.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 0.734 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.604 ' CH2' ' NH2' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -141.39 156.09 45.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 108.026 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 24' ' ' ILE . 1.9 tt -112.11 156.64 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -109.62 134.06 52.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.79 HD12 HD12 ' A' ' 24' ' ' ILE . 58.4 mt -131.83 117.08 18.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.566 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 86.7 t -99.13 98.35 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.925 HG11 ' HB3' ' A' ' 66' ' ' ASP . 41.8 t -114.64 147.97 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.81 147.59 29.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.488 HG23 ' HG3' ' A' ' 20' ' ' ARG . 36.3 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.408 ' O ' HD12 ' A' ' 14' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.5 p -113.79 -54.8 2.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 110.37 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.4 mtm -41.63 -52.96 3.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.443 ' CE1' ' HB3' ' A' ' 69' ' ' MET . 36.4 m-85 -69.31 158.96 34.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.03 160.7 10.68 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.983 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -10.84 21.36 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.36 -2.26 16.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -103.88 7.59 36.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.254 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 17' ' ' LYS . 2.6 pt -131.48 -45.26 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 14' ' ' ILE . . . -39.76 108.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.26 -47.41 1.09 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.13 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 14' ' ' ILE . 0.6 OUTLIER -48.76 145.98 3.44 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 0.766 . . . . 0.0 109.25 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' A' ' 104' ' ' ALA . 61.9 m-20 -102.2 86.13 2.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.7 t -97.31 133.68 38.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.493 ' HG3' HG23 ' A' ' 105' ' ' VAL . 0.2 OUTLIER -130.02 122.08 27.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.286 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.623 HD11 ' OD2' ' A' ' 100' ' ' ASP . 9.1 tp -81.91 107.19 14.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.4 mt -97.71 153.15 18.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -126.17 101.65 6.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.266 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.756 HD12 HD12 ' A' ' 101' ' ' LEU . 26.4 mt -85.3 137.92 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.1 145.5 37.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.572 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 3.3 mttp -95.87 85.51 4.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.1 OUTLIER -127.31 136.44 51.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.12 -79.95 0.04 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 27' ' ' GLU . 1.1 p -158.34 -170.04 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.79 . . . . 0.0 109.946 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.79 HD13 ' CE3' ' A' ' 92' ' ' TRP . 48.3 tp -96.95 -61.11 1.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.465 ' OD1' ' CD2' ' A' ' 51' ' ' TYR . 2.0 t0 51.68 83.9 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.734 ' CD1' HG22 ' A' ' 50' ' ' VAL . 20.3 tp -149.46 154.33 38.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -121.21 148.03 44.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.502 HD23 ' HA ' ' A' ' 47' ' ' VAL . 62.0 mt -130.33 156.03 45.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.844 ' HA ' HD21 ' A' ' 81' ' ' LEU . 19.7 pt-20 -155.54 145.57 21.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.253 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.69 -147.57 18.65 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.479 ' O ' ' C ' ' A' ' 38' ' ' VAL . . . 63.05 -156.99 40.28 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.8 HG13 ' N ' ' A' ' 39' ' ' ASP . 2.1 p 34.13 -148.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.8 ' N ' HG13 ' A' ' 38' ' ' VAL . 6.4 m-20 -88.17 51.31 2.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 p -89.77 166.32 21.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -6.46 18.1 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.8 HG12 ' HG3' ' A' ' 44' ' ' LYS . 25.1 t -91.38 -58.96 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.31 29.43 27.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.8 ' HG3' HG12 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -166.93 173.18 9.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.777 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.8 t -96.52 128.01 48.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 35' ' ' GLU . 17.2 m -139.57 134.77 39.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.502 ' HA ' HD23 ' A' ' 34' ' ' LEU . 93.1 t -58.04 118.14 2.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.496 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 28.8 t -72.48 -49.27 34.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.986 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.99 145.72 5.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.734 HG22 ' CD1' ' A' ' 32' ' ' LEU . 51.9 t -102.68 89.68 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.465 ' CD2' ' OD1' ' A' ' 31' ' ' ASP . 15.6 m-85 -45.41 121.62 3.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.048 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -64.91 147.78 52.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.39 -40.95 2.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -59.62 -172.33 0.57 Allowed Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.633 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -81.14 -40.83 23.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.79 -54.56 11.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.98 -46.66 88.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -54.95 24.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.495 ' CG ' HG12 ' A' ' 24' ' ' ILE . 22.8 t-80 -41.09 -64.66 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.634 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.46 49.35 5.51 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -124.06 -63.54 0.19 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.474 HG23 ' OD2' ' A' ' 66' ' ' ASP . 9.9 p -95.9 140.43 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.776 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.5 m -116.31 -164.7 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.496 ' CD ' ' O ' ' A' ' 48' ' ' SER . 1.6 ttpp -84.68 152.35 23.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 67.85 42.54 86.05 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.736 ' HB3' HG21 ' A' ' 103' ' ' VAL . 0.4 OUTLIER -93.93 -174.06 3.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.987 ' C ' HG23 ' A' ' 103' ' ' VAL . 5.9 mt-10 -114.91 73.84 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.879 HD13 ' HB ' ' A' ' 103' ' ' VAL . 6.7 mm -72.56 148.03 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.827 ' O ' HG22 ' A' ' 76' ' ' VAL . 78.3 mtp -145.16 -46.89 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.634 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -129.32 141.16 51.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.584 HD13 ' HB2' ' A' ' 88' ' ' LEU . 73.6 mt -119.12 121.21 66.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 43.41 27.53 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.425 ' N ' ' C ' ' A' ' 71' ' ' ILE . . . 88.18 39.01 7.04 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.517 1.136 . . . . 0.0 111.038 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.776 ' O ' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -131.58 95.73 3.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.633 HG23 HG23 ' A' ' 77' ' ' THR . 30.6 mt -44.08 125.41 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.827 HG22 ' O ' ' A' ' 69' ' ' MET . 27.0 m -122.88 20.56 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.633 HG23 HG23 ' A' ' 75' ' ' ILE . 62.3 p -56.61 -67.78 0.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.373 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -94.92 42.45 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.448 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.3 OUTLIER -104.56 148.51 26.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.54 HG22 HG23 ' A' ' 38' ' ' VAL . 3.3 p -93.74 158.73 15.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.449 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.844 HD21 ' HA ' ' A' ' 35' ' ' GLU . 4.1 mt -39.94 -62.56 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -45.47 -64.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.448 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -39.67 -69.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -52.96 -65.96 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 81' ' ' LEU . 7.4 mt-10 -36.48 -53.4 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 110.343 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 87' ' ' ALA . . . -64.91 -58.65 5.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 86' ' ' ALA . . . -40.19 -66.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.169 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.584 ' HB2' HD13 ' A' ' 71' ' ' ILE . 32.7 tp -40.8 -61.05 1.02 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 92' ' ' TRP . 7.2 mm100 -48.96 -62.61 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 89' ' ' GLN . 33.8 mttt -39.17 -45.73 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 88' ' ' LEU . . . -55.5 -51.56 66.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.79 ' CE3' HD13 ' A' ' 30' ' ' LEU . 8.1 t-105 -63.86 -46.25 85.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 108.018 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 94' ' ' GLN . 3.9 m120 -46.43 -43.6 16.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 93' ' ' ASN . 19.2 mt-30 -35.72 -52.2 0.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 97.48 62.64 0.9 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.449 1.093 . . . . 0.0 111.047 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -104.6 179.37 24.42 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -83.57 -43.86 15.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 0.777 . . . . 0.0 109.338 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -142.28 160.53 40.07 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.487 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 5.4 tt -128.39 153.63 38.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.71 ' O ' HD23 ' A' ' 101' ' ' LEU . 2.4 m-20 -110.31 148.22 32.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.756 HD12 HD12 ' A' ' 24' ' ' ILE . 36.9 mt -144.06 113.02 6.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.634 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 60.1 t -87.56 104.28 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.987 HG23 ' C ' ' A' ' 67' ' ' GLU . 2.2 p -144.98 141.28 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.73 ' HB3' ' HB2' ' A' ' 67' ' ' GLU . . . -63.61 177.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.493 HG23 ' HG3' ' A' ' 20' ' ' ARG . 38.8 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.1 t -61.17 -18.08 56.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.374 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.1 ttm -73.18 -23.9 60.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.506 ' CD1' ' HE1' ' A' ' 69' ' ' MET . 89.2 m-85 -102.6 155.92 17.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.67 153.33 52.52 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.0 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -13.91 21.3 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.484 1.781 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.79 16.49 26.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -117.5 -54.2 2.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.2 pt -66.34 -39.81 85.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.31 115.07 0.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.38 -47.26 1.06 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -75.19 176.08 7.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.44 ' HB3' HG12 ' A' ' 105' ' ' VAL . 82.8 m-20 -130.24 86.62 2.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.244 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.8 t -74.12 122.9 28.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 103' ' ' VAL . 11.4 mtt-85 -131.38 120.93 23.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.432 1.082 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.718 HD12 ' N ' ' A' ' 22' ' ' LEU . 4.4 tp -87.19 129.67 34.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.718 ' N ' HD12 ' A' ' 21' ' ' LEU . 12.4 mt -118.45 117.9 30.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.43 ' NH2' ' CD2' ' A' ' 98' ' ' TRP . 0.2 OUTLIER -85.9 124.38 32.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.817 HD12 HD12 ' A' ' 101' ' ' LEU . 51.2 mt -110.24 150.27 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -86.93 142.38 28.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.522 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 8.1 mttt -92.22 89.16 6.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.5 OUTLIER -128.08 138.78 52.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.2 -82.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.523 ' O ' ' CZ2' ' A' ' 92' ' ' TRP . 1.5 p -154.19 -164.31 1.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.765 . . . . 0.0 110.005 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.702 HD23 ' NE2' ' A' ' 89' ' ' GLN . 26.2 tp -104.37 -63.3 1.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 52.36 84.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.348 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.475 HD11 HG22 ' A' ' 50' ' ' VAL . 32.9 tp -146.07 134.36 21.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.82 139.04 39.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.443 ' C ' HD21 ' A' ' 81' ' ' LEU . 70.7 mt -122.39 167.0 13.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.757 ' HA ' HD21 ' A' ' 81' ' ' LEU . 8.9 pt-20 -156.02 153.11 28.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.432 ' HA2' ' CB ' ' A' ' 40' ' ' SER . . . 74.36 -152.83 45.51 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 111.045 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . 97.36 -64.02 0.95 Allowed Glycine 0 CA--C 1.531 1.062 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.749 HG13 ' N ' ' A' ' 39' ' ' ASP . 4.4 p -69.33 -143.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.567 0.804 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.749 ' N ' HG13 ' A' ' 38' ' ' VAL . 21.2 m-20 -83.03 50.12 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.517 ' CB ' ' CD ' ' A' ' 41' ' ' PRO . 0.5 OUTLIER -92.75 179.16 1.38 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.517 ' CD ' ' CB ' ' A' ' 40' ' ' SER . 18.2 Cg_endo -74.96 -7.35 19.11 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.541 1.811 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.0 t -93.27 -51.31 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.341 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.77 -30.91 5.84 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 37' ' ' GLY . 14.3 mtmt -113.04 -175.02 2.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.1 t -102.34 122.43 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 66' ' ' ASP . 23.2 m -136.66 134.99 49.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.59 HG11 ' CG2' ' A' ' 50' ' ' VAL . 52.6 t -58.42 133.0 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.7 t -89.75 -40.12 12.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -164.25 134.77 4.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.59 ' CG2' HG11 ' A' ' 47' ' ' VAL . 83.7 t -103.41 90.18 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -46.83 122.19 4.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.437 ' HA ' ' CB ' ' A' ' 57' ' ' GLU . 41.0 tt0 -56.85 -42.73 80.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.89 -13.0 60.87 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.73 161.0 45.72 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.622 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -75.55 -14.4 60.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.403 ' HA ' HD13 ' A' ' 24' ' ' ILE . . . -68.79 -45.83 70.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.437 ' CB ' ' HA ' ' A' ' 52' ' ' GLU . 4.6 tm-20 -68.48 -48.66 63.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.8 mtt-85 -41.72 -34.79 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -73.92 -63.13 1.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.604 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 107.94 -109.12 2.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.88 -89.13 0.07 OUTLIER Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.4 t -130.64 148.32 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.758 . . . . 0.0 109.35 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.4 m -86.33 -160.18 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.097 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.421 ' HB2' HG12 ' A' ' 47' ' ' VAL . 0.3 OUTLIER -67.83 161.49 26.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.19 -17.62 58.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.433 ' OD1' HG23 ' A' ' 47' ' ' VAL . 42.3 p-10 -51.29 160.55 0.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.4 ' CD ' ' HZ2' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -106.64 104.0 13.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.431 HD13 HG22 ' A' ' 103' ' ' VAL . 3.9 mm -79.51 153.07 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.248 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.646 ' C ' HG22 ' A' ' 76' ' ' VAL . 71.3 mtp -142.99 -46.84 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.527 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -135.94 139.17 43.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.815 HD13 ' HB2' ' A' ' 88' ' ' LEU . 69.3 mt -117.51 111.6 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.818 ' ND2' ' HB1' ' A' ' 91' ' ' ALA . 2.5 m120 58.41 27.99 16.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 105.82 -46.76 1.13 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.48 133.36 35.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 0.734 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.887 HG23 HG23 ' A' ' 77' ' ' THR . 10.8 mt -77.73 131.01 35.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.646 HG22 ' C ' ' A' ' 69' ' ' MET . 15.2 m -123.8 23.07 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.887 HG23 HG23 ' A' ' 75' ' ' ILE . 36.2 p -52.17 -58.96 5.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.375 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -107.75 38.66 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.535 ' CG ' ' HA ' ' A' ' 76' ' ' VAL . 0.3 OUTLIER -91.09 150.33 21.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.691 HG22 HG23 ' A' ' 38' ' ' VAL . 5.1 p -94.46 159.03 15.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.354 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.757 HD21 ' HA ' ' A' ' 35' ' ' GLU . 3.1 mt -41.33 -62.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.86 -63.93 0.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.456 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 2.3 mm-40 -40.02 -69.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.317 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -52.48 -66.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 84' ' ' ALA . 9.1 mt-10 -36.52 -57.27 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 87' ' ' ALA . . . -61.39 -62.59 1.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 86' ' ' ALA . . . -39.67 -64.81 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.815 ' HB2' HD13 ' A' ' 71' ' ' ILE . 5.8 tp -44.59 -60.34 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.702 ' NE2' HD23 ' A' ' 30' ' ' LEU . 40.5 mm-40 -49.94 -56.98 8.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -39.8 -56.52 1.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.818 ' HB1' ' ND2' ' A' ' 72' ' ' ASN . . . -47.28 -45.71 24.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.704 ' CZ3' HG21 ' A' ' 99' ' ' ILE . 7.2 t-105 -67.81 -48.96 64.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 108.01 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 94' ' ' GLN . 5.2 m-80 -52.58 -45.4 66.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 93' ' ' ASN . 15.3 mt-30 -38.18 -38.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.77 97.49 1.1 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.494 1.121 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -139.2 -178.08 16.12 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.551 ' HB3' ' CD2' ' A' ' 98' ' ' TRP . 56.7 m-20 -91.14 -45.22 8.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.551 ' CD2' ' HB3' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -136.02 161.23 36.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 108.021 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.704 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 6.5 tt -136.41 142.07 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -101.8 142.27 33.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.817 HD12 HD12 ' A' ' 24' ' ' ILE . 46.3 mt -137.81 115.02 10.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.527 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 77.8 t -84.2 115.69 26.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.431 HG22 HD13 ' A' ' 68' ' ' ILE . 2.6 t -139.0 158.31 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -95.72 133.41 39.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.44 HG12 ' HB3' ' A' ' 18' ' ' ASP . 11.6 p . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.476 ' O ' HG23 ' A' ' 7' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 6' ' ' ALA . 2.1 p -153.48 -47.96 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 110.397 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -44.37 -53.22 7.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -54.14 -167.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 111.04 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.3 159.29 59.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -11.24 21.44 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.499 1.789 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -106.94 11.2 30.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.268 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -112.49 -50.94 2.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.2 pt -69.22 -40.0 79.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.86 124.21 12.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.37 -34.24 4.06 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -68.99 155.2 40.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 0.786 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.42 85.69 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.4 m -98.11 162.11 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.495 ' HG3' HG23 ' A' ' 105' ' ' VAL . 33.6 mtt180 -131.61 123.98 28.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.566 HD11 ' OD1' ' A' ' 100' ' ' ASP . 5.7 tp -83.54 114.61 21.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.432 ' N ' HD12 ' A' ' 21' ' ' LEU . 9.1 mt -100.4 145.5 28.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.482 ' HD3' ' CG ' ' A' ' 98' ' ' TRP . 17.1 ttm105 -120.93 111.76 17.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.642 HD12 HD12 ' A' ' 101' ' ' LEU . 17.1 mt -96.9 148.73 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -90.69 145.39 24.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.571 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 3.1 mttt -88.79 89.74 8.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -130.83 126.85 37.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.25 -71.33 0.09 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.457 1.098 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 27' ' ' GLU . 3.6 m 177.29 147.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.777 . . . . 0.0 110.026 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.668 HD21 HD21 ' A' ' 88' ' ' LEU . 9.3 tp -64.41 -60.48 3.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 58.06 68.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.673 HD11 ' CG1' ' A' ' 47' ' ' VAL . 16.7 tp -124.95 149.43 47.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -113.68 151.98 31.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.715 HD23 ' HA ' ' A' ' 47' ' ' VAL . 71.7 mt -133.21 156.78 46.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.92 ' HA ' HD21 ' A' ' 81' ' ' LEU . 17.6 pt-20 -152.51 150.97 30.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.356 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 109.61 -146.16 16.91 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 38' ' ' VAL . . . 74.58 -166.67 54.83 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.696 HG13 HG22 ' A' ' 80' ' ' THR . 2.6 m 39.98 -162.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.568 0.805 . . . . 0.0 109.348 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -83.17 50.46 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.472 ' CB ' ' CD ' ' A' ' 41' ' ' PRO . 1.0 OUTLIER -85.04 176.51 3.62 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 40' ' ' SER . 18.3 Cg_endo -74.98 -10.49 21.26 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.482 1.78 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.781 HG12 ' HG2' ' A' ' 44' ' ' LYS . 68.8 t -88.36 -57.27 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.241 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.9 25.34 58.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.781 ' HG2' HG12 ' A' ' 42' ' ' VAL . 18.3 pttt -168.11 169.16 11.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.9 t -93.46 130.59 42.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.9 m -143.27 133.59 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.715 ' HA ' HD23 ' A' ' 34' ' ' LEU . 73.8 t -59.09 117.55 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.517 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 8.5 t -70.62 -48.11 56.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.991 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.64 145.56 5.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.601 HG23 ' HB3' ' A' ' 56' ' ' ALA . 4.1 p -114.8 93.14 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.358 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -47.55 114.36 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.956 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -48.73 -23.25 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.265 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.03 43.87 3.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.099 . . . . 0.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -138.36 -166.15 10.56 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.506 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -90.39 -42.54 10.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 109.366 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.601 ' HB3' HG23 ' A' ' 50' ' ' VAL . . . -41.55 -56.08 2.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -58.94 -50.14 75.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.68 -47.26 20.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -59.26 -59.47 5.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.601 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.15 108.59 0.67 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.508 1.13 . . . . 0.0 110.96 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 162.58 -62.3 0.27 Allowed Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -87.3 124.52 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.444 0.732 . . . . 0.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.5 m -112.69 -165.03 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.517 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -89.54 151.68 21.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.4 44.81 57.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.83 179.14 4.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.585 0.815 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.69 ' O ' HG13 ' A' ' 103' ' ' VAL . 0.0 OUTLIER -102.54 97.79 7.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.315 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.4 HD13 HG22 ' A' ' 103' ' ' VAL . 6.0 mm -88.75 150.39 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.686 ' O ' HG22 ' A' ' 76' ' ' VAL . 6.4 mtm -146.07 -54.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -129.73 144.47 51.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.447 HG23 ' CD2' ' A' ' 101' ' ' LEU . 60.4 mt -120.49 109.58 26.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.76 HD22 ' HB1' ' A' ' 91' ' ' ALA . 1.9 t-20 59.03 25.1 13.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 0.0 109.266 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 107.44 -35.35 5.07 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.463 1.102 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.3 122.5 15.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.65 HG23 HG23 ' A' ' 77' ' ' THR . 15.1 mt -73.12 128.08 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.686 HG22 ' O ' ' A' ' 69' ' ' MET . 24.7 m -123.89 21.72 4.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.65 HG23 HG23 ' A' ' 75' ' ' ILE . 51.2 p -66.0 -14.71 62.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -139.86 26.99 2.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.53 ' CD2' HG12 ' A' ' 76' ' ' VAL . 0.9 OUTLIER -93.17 151.04 20.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.967 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.696 HG22 HG13 ' A' ' 38' ' ' VAL . 1.5 p -96.16 158.12 15.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.92 HD21 ' HA ' ' A' ' 35' ' ' GLU . 5.8 mt -38.78 -63.98 0.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 83' ' ' GLU . . . -46.68 -67.29 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 82' ' ' ALA . 12.9 mt-10 -38.9 -69.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -50.58 -65.83 0.49 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 84' ' ' ALA . 5.6 mt-10 -35.9 -53.52 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.327 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.37 -51.22 61.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 88' ' ' LEU . . . -48.4 -64.25 0.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.668 HD21 HD21 ' A' ' 30' ' ' LEU . 41.7 tp -40.33 -56.8 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -51.03 -55.23 18.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 93' ' ' ASN . 20.4 mttp -43.54 -65.7 0.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.76 ' HB1' HD22 ' A' ' 72' ' ' ASN . . . -39.89 -37.58 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.571 ' CZ2' ' HA ' ' A' ' 26' ' ' LYS . 24.2 t-105 -75.34 -50.07 17.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 107.99 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 90' ' ' LYS . 18.1 m120 -55.36 -42.47 73.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 93' ' ' ASN . 24.8 mt-30 -35.81 -46.35 0.44 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.441 ' O ' ' NZ ' ' A' ' 26' ' ' LYS . . . 120.67 -91.65 0.49 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 95' ' ' GLY . . . 44.77 -170.57 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -98.23 -44.33 6.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 0.759 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.482 ' CG ' ' HD3' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -142.02 171.03 14.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 107.987 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.504 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 12.1 tt -118.99 160.5 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.566 ' OD1' HD11 ' A' ' 21' ' ' LEU . 1.9 m-20 -120.56 135.9 54.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.642 HD12 HD12 ' A' ' 24' ' ' ILE . 53.7 mt -131.71 120.81 23.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 15.7 t -90.41 111.53 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.69 HG13 ' O ' ' A' ' 67' ' ' GLU . 3.4 t -134.01 145.37 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.429 ' HB3' ' HB3' ' A' ' 67' ' ' GLU . . . -87.89 154.52 20.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.495 HG23 ' HG3' ' A' ' 20' ' ' ARG . 38.3 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.476 ' HB1' HD12 ' A' ' 14' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.5 p -122.97 -49.77 1.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.385 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -43.27 -54.54 4.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.496 ' HZ ' ' HB2' ' A' ' 70' ' ' ALA . 23.8 m-85 -72.62 140.55 48.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.1 170.66 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.005 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -36.21 2.65 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.587 1.835 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.38 12.14 10.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.315 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -108.27 -12.54 15.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.476 HD12 ' HB1' ' A' ' 6' ' ' ALA . 4.4 pt -125.34 -46.58 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.65 124.55 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.06 -26.95 20.5 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -88.1 168.22 12.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -126.73 92.02 3.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 103' ' ' VAL . 1.3 p -119.05 153.14 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.401 ' HG3' HG23 ' A' ' 105' ' ' VAL . 1.1 mtp180 -136.01 178.13 7.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.858 HD13 HG22 ' A' ' 102' ' ' VAL . 30.8 tp -129.13 121.94 28.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.533 HD11 HG11 ' A' ' 62' ' ' VAL . 6.8 mt -107.18 144.03 34.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.31 117.56 30.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.838 HD12 HD12 ' A' ' 101' ' ' LEU . 5.5 mt -99.37 154.92 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.7 ttpp -89.98 147.45 23.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.544 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 19.4 mttt -97.12 93.06 6.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -130.02 124.39 32.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.1 -78.32 0.29 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -156.21 -172.93 4.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 110.031 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.522 ' HB2' ' CD2' ' A' ' 92' ' ' TRP . 19.1 tp -91.33 -69.36 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.64 83.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.648 HD11 HG13 ' A' ' 47' ' ' VAL . 11.0 tp -149.18 130.45 14.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.99 137.28 32.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.1 mt -124.7 157.87 34.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.737 ' HA ' HD21 ' A' ' 81' ' ' LEU . 12.0 pt-20 -154.49 157.07 37.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.355 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.648 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . 97.79 -135.84 12.41 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.856 ' O ' HG12 ' A' ' 38' ' ' VAL . . . 54.98 170.77 0.06 OUTLIER Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.856 HG12 ' O ' ' A' ' 37' ' ' GLY . 2.4 p 55.22 -158.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.718 ' H ' HG22 ' A' ' 38' ' ' VAL . 73.9 m-20 -70.15 56.8 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.59 1.181 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.566 ' HB2' HG12 ' A' ' 42' ' ' VAL . 6.4 p -97.38 161.44 26.0 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.058 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.434 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.2 Cg_endo -75.0 -4.77 15.9 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.467 1.772 . . . . 0.0 110.99 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.852 HG22 ' HG3' ' A' ' 44' ' ' LYS . 1.5 p -88.77 -38.15 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.92 3.95 88.22 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.852 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -155.0 -171.26 3.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 0.765 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.9 t -104.31 139.12 26.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.501 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 3.6 m -146.36 133.74 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.648 HG13 HD11 ' A' ' 32' ' ' LEU . 82.1 t -61.48 127.29 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.493 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 29.1 t -81.96 -46.39 14.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.39 145.35 5.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.49 HG22 HD13 ' A' ' 32' ' ' LEU . 53.9 t -106.13 89.69 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -40.18 123.23 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -66.5 -13.65 61.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -100.3 63.45 0.62 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -167.9 -164.29 23.33 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.627 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -91.29 -36.42 13.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.43 -60.05 2.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -50.45 -54.1 24.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.81 -59.11 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -47.56 -60.79 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.576 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.59 -140.46 24.35 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.128 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.15 -57.91 4.0 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.533 HG11 HD11 ' A' ' 22' ' ' LEU . 17.1 m -117.53 168.67 8.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 0.742 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 33.7 m -131.98 -173.84 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.493 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -59.85 159.66 8.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.17 -23.5 31.28 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.548 1.155 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.875 ' HB3' HG11 ' A' ' 103' ' ' VAL . 1.5 m-20 -40.17 146.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.787 ' C ' HG13 ' A' ' 103' ' ' VAL . 9.3 mt-10 -88.56 93.01 9.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.707 HD13 HG22 ' A' ' 103' ' ' VAL . 22.1 mm -70.94 149.39 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.631 ' O ' HG22 ' A' ' 76' ' ' VAL . 3.8 mtm -146.2 -54.83 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.575 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -125.71 130.83 52.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.74 HD13 ' HB2' ' A' ' 88' ' ' LEU . 83.9 mt -109.53 107.59 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.4 29.89 18.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 103.21 -41.71 2.06 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.454 1.097 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.71 128.1 34.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.477 HG23 HG23 ' A' ' 77' ' ' THR . 12.5 mt -74.12 125.53 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.631 HG22 ' O ' ' A' ' 69' ' ' MET . 13.3 m -123.69 23.1 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.477 HG23 HG23 ' A' ' 75' ' ' ILE . 32.0 p -54.89 -62.91 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.42 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -101.59 39.23 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.455 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -93.27 157.95 16.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.989 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.591 HG22 ' CB ' ' A' ' 38' ' ' VAL . 3.0 p -99.17 158.57 15.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.387 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.737 HD21 ' HA ' ' A' ' 35' ' ' GLU . 4.6 mt -40.94 -62.65 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 83' ' ' GLU . . . -47.26 -66.86 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.36 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.455 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 66.4 mt-10 -37.49 -69.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -52.31 -66.24 0.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 81' ' ' LEU . 7.7 mt-10 -37.69 -68.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.339 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.58 -61.2 2.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 83' ' ' GLU . . . -40.16 -67.53 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.74 ' HB2' HD13 ' A' ' 71' ' ' ILE . 18.6 tp -40.54 -50.46 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 92' ' ' TRP . 4.3 mm-40 -56.33 -57.68 11.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 89' ' ' GLN . 52.3 mttt -38.25 -52.29 1.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.457 ' O ' ' NZ ' ' A' ' 26' ' ' LYS . . . -51.51 -50.18 60.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.708 ' CZ3' HG21 ' A' ' 99' ' ' ILE . 7.7 t-105 -64.43 -48.22 76.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 107.999 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 94' ' ' GLN . 3.2 m-80 -46.42 -44.51 17.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 93' ' ' ASN . 20.3 mt-30 -37.41 -45.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 95.84 42.18 3.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.522 1.139 . . . . 0.0 110.964 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -78.45 179.87 51.64 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -84.67 -43.59 14.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 109.324 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -141.56 172.79 12.2 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.708 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 4.0 tt -141.39 133.88 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.725 ' HB3' HD11 ' A' ' 21' ' ' LEU . 1.2 m-20 -95.62 136.7 35.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.838 HD12 HD12 ' A' ' 24' ' ' ILE . 75.7 mt -129.25 119.64 24.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.858 HG22 HD13 ' A' ' 21' ' ' LEU . 38.5 t -91.71 117.62 35.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.875 HG11 ' HB3' ' A' ' 66' ' ' ASP . 35.9 t -139.33 147.74 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 109.247 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.466 ' HB3' ' HB2' ' A' ' 67' ' ' GLU . . . -87.14 148.21 25.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.401 HG23 ' HG3' ' A' ' 20' ' ' ARG . 52.9 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.3 t -60.41 -45.75 92.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.411 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.28 -38.55 19.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -97.48 172.2 7.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.51 155.82 73.66 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -16.08 20.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.47 1.774 . . . . 0.0 110.959 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.78 15.81 28.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -117.23 -55.7 2.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.6 pt -66.43 -44.45 90.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.34 136.73 12.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.16 -42.08 2.76 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -79.48 172.54 13.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 0.739 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.39 98.42 5.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.405 ' HA ' ' HA ' ' A' ' 104' ' ' ALA . 0.4 OUTLIER -132.07 158.05 43.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.409 ' HG3' ' CG2' ' A' ' 105' ' ' VAL . 6.9 mtp180 -144.73 175.25 10.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.273 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.537 HD13 HG22 ' A' ' 102' ' ' VAL . 10.3 tp -114.9 117.56 31.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.751 HD12 HG23 ' A' ' 62' ' ' VAL . 75.7 mt -103.33 136.62 42.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.436 ' O ' ' NE2' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -112.17 125.22 53.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.302 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.69 HD12 HD12 ' A' ' 101' ' ' LEU . 21.7 mt -105.83 153.71 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -97.9 144.76 27.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.573 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 1.9 mttt -90.08 87.83 7.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -126.92 118.19 24.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.72 -76.15 1.76 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -168.89 172.26 7.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 109.986 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.517 ' HB2' ' CD2' ' A' ' 92' ' ' TRP . 36.5 tp -79.08 -85.3 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.584 1.178 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 69.52 87.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.349 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.672 HD11 HG22 ' A' ' 50' ' ' VAL . 30.3 tp -147.13 130.67 16.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.12 130.82 38.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.2 mt -119.03 157.25 28.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.726 ' CA ' HD21 ' A' ' 81' ' ' LEU . 13.1 pt-20 -156.35 162.51 40.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.327 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.661 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . 92.57 -138.06 13.99 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.88 ' O ' HG12 ' A' ' 38' ' ' VAL . . . 54.84 172.01 0.07 OUTLIER Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.88 HG12 ' O ' ' A' ' 37' ' ' GLY . 2.6 p 55.52 -158.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.74 ' H ' HG22 ' A' ' 38' ' ' VAL . 11.1 m-20 -70.04 57.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.544 ' HB2' HG12 ' A' ' 42' ' ' VAL . 9.6 p -100.19 161.55 23.82 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.003 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.446 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.3 Cg_endo -75.03 -10.0 20.98 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.865 HG22 ' HG3' ' A' ' 44' ' ' LYS . 1.5 p -82.51 -38.42 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.349 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.29 6.21 87.72 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.865 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -157.17 -171.44 3.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 0.769 . . . . 0.0 109.319 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 43.8 t -105.66 139.58 26.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.448 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 10.3 m -146.44 133.83 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 69.0 t -60.01 123.47 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 t -74.44 -48.41 27.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.994 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.3 147.19 6.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.672 HG22 HD11 ' A' ' 32' ' ' LEU . 53.9 t -104.36 91.4 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -45.85 115.47 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -52.49 -34.79 51.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.95 66.74 3.51 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.81 177.1 41.7 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.599 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -81.2 -17.27 50.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.21 -51.7 62.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -66.42 -42.77 87.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.86 -52.84 17.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.436 ' NE2' ' O ' ' A' ' 23' ' ' ARG . 22.9 t-80 -46.48 -60.83 2.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.631 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.47 58.65 2.52 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -142.64 -61.33 0.03 OUTLIER Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.751 HG23 HD12 ' A' ' 22' ' ' LEU . 2.3 t -89.39 126.5 42.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.6 m -116.48 -163.83 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -82.31 133.28 35.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.02 -16.47 42.73 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.951 ' HB3' HG11 ' A' ' 103' ' ' VAL . 0.8 OUTLIER -53.26 141.54 23.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.811 ' O ' HG13 ' A' ' 103' ' ' VAL . 13.6 mt-10 -89.29 99.84 12.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.358 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.591 HD13 HG22 ' A' ' 103' ' ' VAL . 18.4 mm -76.87 137.93 21.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.625 ' C ' HG22 ' A' ' 76' ' ' VAL . 7.4 mtm -131.73 -44.02 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.433 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -135.96 137.89 41.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.638 HD13 ' HB2' ' A' ' 88' ' ' LEU . 83.5 mt -118.95 107.2 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 71' ' ' ILE . 0.7 OUTLIER 81.21 -52.71 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -175.77 -37.73 0.05 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.15 137.74 57.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.431 0.724 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.467 HG23 HG23 ' A' ' 77' ' ' THR . 10.2 mt -72.42 129.96 35.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.625 HG22 ' C ' ' A' ' 69' ' ' MET . 14.9 m -122.36 23.17 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.467 HG23 HG23 ' A' ' 75' ' ' ILE . 17.3 p -58.64 -66.05 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.32 38.19 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.524 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -94.9 160.68 14.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.159 . . . . 0.0 110.988 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.545 HG22 ' CB ' ' A' ' 38' ' ' VAL . 2.8 p -99.78 157.51 16.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 110.399 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.726 HD21 ' CA ' ' A' ' 35' ' ' GLU . 7.4 mt -40.89 -63.57 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.96 -62.43 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.524 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 4.6 mm-40 -41.93 -69.53 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -52.6 -65.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 81' ' ' LEU . 7.6 mt-10 -35.7 -66.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.359 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 87' ' ' ALA . . . -55.65 -54.13 47.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 86' ' ' ALA . . . -40.26 -63.19 0.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.638 ' HB2' HD13 ' A' ' 71' ' ' ILE . 27.8 tp -50.14 -50.32 49.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -52.34 -58.25 7.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 91' ' ' ALA . 23.3 mttt -43.46 -65.5 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.446 ' HB1' ' OD1' ' A' ' 72' ' ' ASN . . . -38.77 -59.99 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.599 ' CH2' ' HB3' ' A' ' 55' ' ' ALA . 13.7 t-105 -54.91 -51.74 65.09 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 94' ' ' GLN . 2.0 m120 -50.1 -52.85 31.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 93' ' ' ASN . 12.7 mt-30 -35.37 -56.1 0.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 96' ' ' GLY . . . 142.45 -93.9 0.18 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.115 . . . . 0.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 95' ' ' GLY . . . 50.98 175.32 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -97.48 -43.56 7.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.484 ' CA ' ' HD2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -139.37 168.14 20.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 108.0 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.532 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 3.8 tt -127.44 148.04 32.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.568 ' O ' HD23 ' A' ' 101' ' ' LEU . 3.1 m-20 -105.23 140.71 37.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.132 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.69 HD12 HD12 ' A' ' 24' ' ' ILE . 44.9 mt -140.53 115.28 9.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.537 HG22 HD13 ' A' ' 21' ' ' LEU . 43.1 t -93.5 108.46 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.951 HG11 ' HB3' ' A' ' 66' ' ' ASP . 46.5 t -126.02 147.55 30.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.08 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' A' ' 19' ' ' VAL . . . -75.9 145.15 40.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.409 ' CG2' ' HG3' ' A' ' 20' ' ' ARG . 77.6 t . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 7' ' ' THR . 52.7 p -52.92 -36.97 60.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.4 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.941 ' HG2' HD11 ' A' ' 75' ' ' ILE . 2.1 tpp -55.1 -25.99 35.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.087 . . . . 0.0 110.967 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.54 ' CE1' HD12 ' A' ' 75' ' ' ILE . 27.4 m-85 -114.16 173.91 6.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.458 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.2 OUTLIER -89.86 175.64 3.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.022 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.458 ' CD ' ' CB ' ' A' ' 10' ' ' SER . 18.4 Cg_endo -75.04 -38.54 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -84.85 2.48 42.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -102.89 -10.1 19.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 pt -126.61 -59.11 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 63.6 -128.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.95 28.81 6.87 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -80.36 153.17 28.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 0.757 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.642 ' HB3' HG12 ' A' ' 105' ' ' VAL . 8.3 m-20 -98.93 102.39 14.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.474 ' O ' HG22 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -109.09 111.62 36.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -119.77 136.73 54.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.317 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.467 HD12 ' N ' ' A' ' 22' ' ' LEU . 12.3 tp -100.3 128.55 46.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.467 ' N ' HD12 ' A' ' 21' ' ' LEU . 8.0 mt -125.5 149.19 48.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.42 118.05 33.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.761 HD13 HD12 ' A' ' 101' ' ' LEU . 2.7 mt -98.91 155.14 3.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -90.81 142.97 27.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.544 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 4.9 mttm -92.66 70.72 4.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' SER . 4.5 tp10 -118.23 143.25 46.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.32 -76.31 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' GLU . 2.3 m -173.07 -174.16 1.03 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 0.0 110.028 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.511 ' HB2' ' CD2' ' A' ' 92' ' ' TRP . 31.4 tp -92.96 -82.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 66.58 88.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 50' ' ' VAL . 5.8 tp -149.14 132.73 16.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.76 137.51 33.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.3 mt -123.97 158.12 32.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.752 ' HA ' HD21 ' A' ' 81' ' ' LEU . 11.2 pt-20 -155.79 158.28 37.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.715 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . 97.08 -139.35 14.44 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.452 1.095 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.835 ' O ' HG12 ' A' ' 38' ' ' VAL . . . 57.94 173.75 0.37 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.835 HG12 ' O ' ' A' ' 37' ' ' GLY . 2.6 p 54.21 -157.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.769 . . . . 0.0 109.251 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.74 ' H ' HG22 ' A' ' 38' ' ' VAL . 6.9 t70 -70.31 57.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.457 ' HB2' HG12 ' A' ' 42' ' ' VAL . 19.6 p -101.51 161.33 23.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.175 . . . . 0.0 110.022 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.447 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.3 Cg_endo -75.0 -18.63 18.58 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.868 HG22 ' HG3' ' A' ' 44' ' ' LYS . 1.7 p -72.62 -39.29 60.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.89 15.24 73.79 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.868 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -162.67 -179.93 7.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 0.743 . . . . 0.0 109.275 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.4 t -100.33 136.29 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.406 HG12 ' O ' ' A' ' 66' ' ' ASP . 20.9 m -144.88 134.14 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.6 t -59.39 116.95 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.485 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 47.2 t -70.56 -46.94 62.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.034 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.63 143.53 4.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.423 ' HA ' HD12 ' A' ' 32' ' ' LEU . 92.8 t -101.15 91.29 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.166 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -49.66 123.24 7.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.447 ' HA ' ' CG ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -66.06 160.17 24.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.296 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.06 -49.13 3.01 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.55 -176.89 0.21 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.637 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -75.74 -44.47 41.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.38 -55.74 6.9 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.447 ' CG ' ' HA ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -56.68 -51.85 67.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -51.46 -48.62 62.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 110.249 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -54.55 -64.42 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.648 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.76 -151.15 21.07 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.554 1.159 . . . . 0.0 110.968 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.57 -63.59 0.63 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.695 HG23 ' CG ' ' A' ' 66' ' ' ASP . 9.5 p -88.72 130.2 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.5 m -120.29 -166.15 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.485 ' CD ' ' O ' ' A' ' 48' ' ' SER . 3.2 ttpp -79.69 142.52 35.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 104.59 -11.53 50.3 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.695 ' CG ' HG23 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -53.3 -178.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.762 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.517 ' HB2' ' HB3' ' A' ' 104' ' ' ALA . 3.9 mt-10 -131.12 70.75 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.471 HG22 HG21 ' A' ' 76' ' ' VAL . 1.3 mm -47.37 142.86 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.881 ' O ' HG22 ' A' ' 76' ' ' VAL . 88.0 mtp -131.66 -52.79 1.0 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.744 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -129.37 150.1 50.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.663 HD12 HG11 ' A' ' 76' ' ' VAL . 27.2 mt -131.64 112.4 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 100' ' ' ASP . 0.1 OUTLIER 59.75 19.71 8.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 111.19 -40.22 2.62 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.137 . . . . 0.0 110.97 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.81 137.24 45.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.755 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.941 HD11 ' HG2' ' A' ' 8' ' ' MET . 30.6 mm -85.24 130.56 35.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.881 HG22 ' O ' ' A' ' 69' ' ' MET . 13.6 m -122.98 22.84 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.855 HG23 HG23 ' A' ' 75' ' ' ILE . 38.0 p -54.36 -73.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -94.33 42.15 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.467 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.3 OUTLIER -97.86 150.38 21.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.105 . . . . 0.0 111.025 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.535 HG22 ' CB ' ' A' ' 38' ' ' VAL . 2.3 p -91.88 157.27 16.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.431 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.752 HD21 ' HA ' ' A' ' 35' ' ' GLU . 6.0 mt -39.29 -63.38 0.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.6 -64.34 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.467 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 30.8 mt-10 -39.31 -69.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -53.08 -66.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 84' ' ' ALA . 8.0 mt-10 -35.91 -57.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.303 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.53 -58.67 7.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.84 -59.0 1.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.611 ' HB2' HD13 ' A' ' 71' ' ' ILE . 8.0 tp -48.27 -58.37 4.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 90' ' ' LYS . 11.4 mm100 -52.08 -61.27 2.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 89' ' ' GLN . 9.7 mttp -37.86 -49.65 1.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 88' ' ' LEU . . . -53.39 -56.27 18.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.704 ' CZ3' HG21 ' A' ' 99' ' ' ILE . 8.4 t-105 -59.44 -47.04 87.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 108.035 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 94' ' ' GLN . 2.9 m120 -46.63 -46.97 20.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 93' ' ' ASN . 19.8 mt-30 -36.41 -58.59 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 104.44 105.74 3.04 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.449 ' CA ' ' HD3' ' A' ' 26' ' ' LYS . . . -146.66 -166.78 12.46 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -97.22 -43.25 7.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -141.34 156.34 45.85 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.704 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 11.0 tt -131.4 138.15 53.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 72' ' ' ASN . 1.1 m-20 -98.02 119.99 37.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.761 HD12 HD13 ' A' ' 24' ' ' ILE . 66.7 mt -117.82 113.9 22.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.365 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.744 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 36.8 t -83.82 118.41 31.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 66' ' ' ASP . 0.2 OUTLIER -150.28 140.92 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.626 ' HB1' ' O ' ' A' ' 18' ' ' ASP . . . -78.94 149.94 32.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.642 HG12 ' HB3' ' A' ' 18' ' ' ASP . 11.9 p . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.1 t -62.83 -31.78 72.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.401 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.7 ttm -63.14 -22.18 66.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.402 ' CE2' HG11 ' A' ' 19' ' ' VAL . 91.2 m-85 -105.88 139.97 39.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.77 162.13 12.99 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -26.16 11.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.551 1.817 . . . . 0.0 111.042 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.66 19.34 7.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 -116.95 -60.31 1.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 110.262 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.499 ' O ' ' CD ' ' A' ' 17' ' ' LYS . 2.9 pt -63.33 -56.33 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 40.09 74.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 17' ' ' LYS . . . 87.05 -42.53 3.16 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.513 1.133 . . . . 0.0 110.951 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.499 ' CD ' ' O ' ' A' ' 14' ' ' ILE . 4.8 mttt -39.7 107.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.747 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.77 102.04 8.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.626 HG22 ' HE3' ' A' ' 69' ' ' MET . 22.4 t -72.68 131.67 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.607 ' HG3' HG23 ' A' ' 105' ' ' VAL . 3.9 mtp180 -117.82 123.7 46.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.541 HD11 ' CG ' ' A' ' 100' ' ' ASP . 2.4 tp -95.54 111.48 23.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.604 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 1.6 mt -103.51 159.48 15.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -126.81 117.28 22.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.873 HD13 HD12 ' A' ' 101' ' ' LEU . 3.3 mt -108.98 140.34 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -83.77 148.94 26.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.586 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 0.6 OUTLIER -95.12 77.17 3.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 58' ' ' ARG . 1.1 tt0 -135.65 118.32 16.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.22 60.42 4.13 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 45.04 -169.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.589 HD13 ' CZ3' ' A' ' 92' ' ' TRP . 58.9 tp -106.84 -64.44 1.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 62.46 68.51 0.66 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.509 HD23 HD21 ' A' ' 88' ' ' LEU . 5.8 tp -132.9 133.07 42.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.401 ' O ' HD23 ' A' ' 34' ' ' LEU . . . -94.03 146.79 23.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 47' ' ' VAL . 19.3 mt -132.02 157.98 42.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.895 ' HA ' HD21 ' A' ' 81' ' ' LEU . 25.6 pt-20 -155.97 161.98 40.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 0.0 110.336 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.558 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . 93.59 -144.57 17.17 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . 66.85 -170.97 31.79 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.806 HG13 ' N ' ' A' ' 39' ' ' ASP . 1.8 p 36.68 -149.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 0.741 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.806 ' N ' HG13 ' A' ' 38' ' ' VAL . 56.3 m-20 -77.94 54.6 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 78.4 p -90.17 160.36 40.29 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.982 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.448 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.2 Cg_endo -74.96 -3.25 13.64 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.538 1.809 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.892 HG22 ' HG2' ' A' ' 44' ' ' LYS . 2.4 p -92.41 -40.81 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.96 11.46 84.48 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.447 1.092 . . . . 0.0 110.991 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.892 ' HG2' HG22 ' A' ' 42' ' ' VAL . 23.7 pttt -159.58 177.34 11.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 0.793 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.9 t -97.45 133.45 39.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.6 m -146.29 134.49 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.585 HG23 HD11 ' A' ' 68' ' ' ILE . 74.3 t -58.36 128.06 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.526 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 44.0 t -82.09 -45.6 15.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.43 146.14 5.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.863 HG23 ' HB3' ' A' ' 56' ' ' ALA . 1.5 p -114.13 90.11 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -45.24 116.38 1.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 111.049 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -43.09 -39.62 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.47 54.01 4.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -146.94 -167.47 13.05 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.515 ' CB ' ' CH2' ' A' ' 92' ' ' TRP . . . -91.54 -47.32 7.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.863 ' HB3' HG23 ' A' ' 50' ' ' VAL . . . -41.92 -47.71 4.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.406 ' CD ' ' C ' ' A' ' 57' ' ' GLU . 6.4 tm-20 -52.57 -54.59 30.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.333 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.403 ' CZ ' ' HB3' ' A' ' 27' ' ' GLU . 51.3 mtm180 -42.63 -54.91 3.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.604 ' CE1' ' HB3' ' A' ' 22' ' ' LEU . 23.2 t60 -40.36 -66.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.599 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' GLY . . . 85.61 -43.85 3.29 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 60' ' ' GLY . . . -37.03 -47.62 1.35 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.427 HG11 HD11 ' A' ' 22' ' ' LEU . 2.4 m -120.95 165.08 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 64' ' ' LYS . 11.2 m -144.29 -152.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.526 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -86.64 142.23 28.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.32 -25.81 22.19 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.108 . . . . 0.0 110.949 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.477 ' HB3' ' CG1' ' A' ' 103' ' ' VAL . 44.3 m-20 -51.67 -177.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.763 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.462 ' CG ' ' HE3' ' A' ' 44' ' ' LYS . 0.6 OUTLIER -120.55 106.25 11.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.613 HD13 HG22 ' A' ' 103' ' ' VAL . 6.4 mm -81.26 141.47 15.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.808 ' O ' HG22 ' A' ' 76' ' ' VAL . 25.1 mtm -129.23 -54.55 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.66 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -122.81 153.26 39.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.78 HD13 ' HB2' ' A' ' 88' ' ' LEU . 42.1 mt -132.7 107.24 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 100' ' ' ASP . 0.1 OUTLIER 63.85 16.3 9.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 113.34 -37.06 3.76 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.2 122.46 16.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 0.757 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.848 HG23 HG23 ' A' ' 77' ' ' THR . 34.5 mt -67.44 133.01 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.808 HG22 ' O ' ' A' ' 69' ' ' MET . 18.8 m -123.11 23.15 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.251 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.848 HG23 HG23 ' A' ' 75' ' ' ILE . 25.5 p -52.9 -66.2 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.43 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.59 39.44 1.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.537 ' CG ' ' HA ' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -94.84 137.96 33.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.55 HG22 HG23 ' A' ' 38' ' ' VAL . 6.1 p -80.41 157.04 26.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.425 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.895 HD21 ' HA ' ' A' ' 35' ' ' GLU . 4.1 mt -40.75 -63.21 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.36 -49.79 42.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.39 -69.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -56.87 -62.73 1.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 84' ' ' ALA . 5.0 mt-10 -38.11 -49.36 1.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.49 -61.37 1.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.78 -58.17 1.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.78 ' HB2' HD13 ' A' ' 71' ' ' ILE . 49.3 tp -50.85 -60.09 3.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -50.4 -57.43 7.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.271 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 91' ' ' ALA . 0.7 OUTLIER -40.53 -65.21 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 90' ' ' LYS . . . -38.63 -58.49 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.589 ' CZ3' HD13 ' A' ' 30' ' ' LEU . 7.0 t-105 -56.33 -52.77 63.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 107.976 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 94' ' ' GLN . 5.1 m120 -49.81 -52.45 32.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 93' ' ' ASN . 13.0 mt-30 -36.49 -55.05 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.342 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.419 ' O ' ' HD3' ' A' ' 26' ' ' LYS . . . 142.8 -94.28 0.18 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 95' ' ' GLY . . . 51.99 172.89 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -97.58 -43.63 7.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.428 ' C ' ' HD2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -139.91 175.73 9.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 107.996 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.498 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 3.7 tt -139.7 143.88 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.541 ' CG ' HD11 ' A' ' 21' ' ' LEU . 23.3 m-20 -103.58 113.09 26.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.873 HD12 HD13 ' A' ' 24' ' ' ILE . 60.1 mt -109.06 112.24 24.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.66 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 42.1 t -87.35 108.53 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.613 HG22 HD13 ' A' ' 68' ' ' ILE . 42.6 t -122.1 146.28 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.38 161.04 21.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.607 HG23 ' HG3' ' A' ' 20' ' ' ARG . 62.1 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 63.0 p -50.8 -43.66 58.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 110.419 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.412 ' HG2' HD11 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -47.37 -32.64 5.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -109.08 176.72 4.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.72 163.62 53.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.032 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -12.61 21.45 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.47 1.773 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.82 8.29 30.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.263 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -108.45 -40.16 5.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 17' ' ' LYS . 2.0 pt -80.97 -36.47 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.17 124.34 1.85 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.89 -43.74 3.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.449 1.093 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 14' ' ' ILE . 1.1 mttm -58.47 153.38 16.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 0.733 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -129.87 91.33 3.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.76 156.22 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.6 167.68 20.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 22' ' ' LEU . 12.5 tp -110.49 122.99 49.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.409 ' N ' HD12 ' A' ' 21' ' ' LEU . 33.4 mt -116.24 121.2 41.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.76 122.97 33.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.824 HD12 HD12 ' A' ' 101' ' ' LEU . 41.0 mt -107.32 125.31 63.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.241 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -66.89 138.41 57.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.58 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 2.9 mttt -86.78 83.99 7.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -135.36 121.53 20.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.09 78.65 0.13 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.132 . . . . 0.0 111.005 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.6 ' O ' ' CZ2' ' A' ' 92' ' ' TRP . 0.2 OUTLIER 41.52 -161.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 0.736 . . . . 0.0 109.987 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.853 HD13 ' CZ3' ' A' ' 92' ' ' TRP . 47.6 tp -108.22 -75.19 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 75.26 69.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.725 ' CD1' HG22 ' A' ' 50' ' ' VAL . 15.4 tp -136.02 132.45 36.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.36 141.56 34.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.452 HD22 ' O ' ' A' ' 46' ' ' VAL . 84.5 mt -128.45 160.78 31.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.963 ' HA ' HD21 ' A' ' 81' ' ' LEU . 10.3 pt-20 -153.24 171.59 18.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 97.03 -135.29 12.14 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 38' ' ' VAL . . . 48.55 -170.19 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.46 ' O ' ' O ' ' A' ' 37' ' ' GLY . 1.1 m 40.51 -163.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.269 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -76.37 53.3 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.452 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 9.5 p -93.38 165.2 18.8 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.452 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.4 Cg_endo -74.96 -4.79 15.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.532 1.807 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.906 HG12 ' HG3' ' A' ' 44' ' ' LYS . 97.1 t -88.66 -47.64 15.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.45 27.91 62.62 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.906 ' HG3' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -177.54 167.62 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.758 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.8 t -91.48 139.07 18.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.479 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 23.1 m -146.25 -166.16 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.4 t -108.89 112.25 39.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.464 1.103 . . . . 0.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.508 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 15.1 t -71.92 -46.24 58.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.51 150.36 7.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.725 HG22 ' CD1' ' A' ' 32' ' ' LEU . 24.7 t -110.96 89.75 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -46.83 122.52 4.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -64.58 160.27 19.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.09 -43.89 3.29 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.138 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.64 -168.98 0.03 OUTLIER Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.478 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -82.57 -47.39 12.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.405 ' CB ' HD13 ' A' ' 32' ' ' LEU . . . -44.47 -57.09 3.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -49.83 -54.22 20.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.82 -54.78 7.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -46.43 -65.7 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.612 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 83.13 -149.18 26.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.553 1.158 . . . . 0.0 110.966 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.25 -59.2 4.0 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.6 m -115.8 158.84 16.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.41 ' O ' ' CG ' ' A' ' 66' ' ' ASP . 19.7 m -137.68 176.17 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.508 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -40.37 147.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.34 -39.3 2.95 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.492 ' HB3' HG11 ' A' ' 103' ' ' VAL . 3.6 m-20 -42.05 157.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 109.242 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.506 ' HB3' ' HB3' ' A' ' 104' ' ' ALA . 39.3 tt0 -109.15 112.88 25.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.514 HD13 HG22 ' A' ' 103' ' ' VAL . 5.0 mm -83.03 135.42 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.781 ' O ' HG22 ' A' ' 76' ' ' VAL . 80.6 mtp -120.81 -50.94 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 74' ' ' LYS . . . -134.67 139.67 45.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.629 HG23 ' CD2' ' A' ' 101' ' ' LEU . 33.7 mt -115.23 117.76 56.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 100' ' ' ASP . 1.1 t-20 51.53 22.34 1.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.409 ' O ' ' SD ' ' A' ' 8' ' ' MET . . . 114.44 -44.83 1.41 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 111.041 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -41.7 153.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 109.333 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.662 HG23 HG23 ' A' ' 77' ' ' THR . 12.1 mm -100.45 118.15 46.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.781 HG22 ' O ' ' A' ' 69' ' ' MET . 11.4 m -123.64 22.73 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.662 HG23 HG23 ' A' ' 75' ' ' ILE . 34.2 p -60.05 -34.1 72.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.366 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -133.34 37.13 3.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.352 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.566 ' CE1' ' O ' ' A' ' 75' ' ' ILE . 0.8 OUTLIER -89.0 167.62 13.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.944 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.41 HG22 HG13 ' A' ' 38' ' ' VAL . 1.2 p -107.11 157.01 18.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.392 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.963 HD21 ' HA ' ' A' ' 35' ' ' GLU . 6.7 mt -41.87 -63.08 0.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.48 -64.04 0.89 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -39.93 -69.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -52.8 -65.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 81' ' ' LEU . 5.6 mt-10 -37.41 -40.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 110.353 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.16 -57.79 3.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.09 -61.42 1.77 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.548 ' HB2' HD13 ' A' ' 71' ' ' ILE . 32.3 tp -40.96 -50.01 3.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 92' ' ' TRP . 9.9 mm100 -59.16 -64.49 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 89' ' ' GLN . 61.8 mttt -38.32 -50.67 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.95 -50.63 60.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.853 ' CZ3' HD13 ' A' ' 30' ' ' LEU . 15.1 t-105 -64.63 -50.39 67.33 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 94' ' ' GLN . 4.1 m120 -43.73 -43.76 6.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 93' ' ' ASN . 13.4 mt-30 -36.53 -53.51 0.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.256 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 94.92 104.87 1.95 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.439 1.087 . . . . 0.0 111.043 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.477 ' CA ' ' HD3' ' A' ' 26' ' ' LYS . . . -148.33 -164.67 11.55 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.422 ' HB3' ' CD1' ' A' ' 98' ' ' TRP . 1.3 t0 -97.49 -43.86 7.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.422 ' CD1' ' HB3' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -141.67 146.94 36.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 107.99 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.679 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 12.2 tt -119.31 138.12 51.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 72' ' ' ASN . 1.1 m-20 -92.06 130.69 37.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.824 HD12 HD12 ' A' ' 24' ' ' ILE . 22.1 mt -134.54 112.68 11.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 21.9 t -80.75 124.68 38.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.514 HG22 HD13 ' A' ' 68' ' ' ILE . 8.9 t -136.88 141.89 39.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.506 ' HB3' ' HB3' ' A' ' 67' ' ' GLU . . . -87.2 150.67 23.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 54.0 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.455 ' HB1' HD12 ' A' ' 14' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.1 p -98.94 -45.79 5.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.361 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.96 -51.65 22.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -73.77 173.34 9.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.24 159.48 56.44 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.982 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -16.31 20.39 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.477 1.777 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -103.52 15.37 29.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -115.92 -52.89 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.455 HD12 ' HB1' ' A' ' 6' ' ' ALA . 2.2 pt -67.28 -41.29 86.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.29 126.51 11.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.05 -48.41 1.14 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.454 1.096 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -72.98 168.39 19.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 0.792 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.501 ' HB3' HG12 ' A' ' 105' ' ' VAL . 71.1 m-20 -115.68 86.1 2.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 39.4 t -82.87 123.73 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.9 mtt180 -126.41 123.64 38.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.889 HD11 ' CG ' ' A' ' 100' ' ' ASP . 21.1 tp -92.86 116.88 29.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.468 HD11 HG21 ' A' ' 62' ' ' VAL . 15.3 mt -104.9 148.35 26.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.574 ' NH1' ' CD2' ' A' ' 98' ' ' TRP . 2.3 ttm-85 -116.8 109.28 16.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.256 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.502 ' O ' ' CB ' ' A' ' 98' ' ' TRP . 69.4 mt -96.82 153.17 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -93.04 138.96 31.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.58 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 29.4 mttt -88.09 80.62 7.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.164 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 29' ' ' SER . 7.8 tp10 -121.53 137.6 54.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.96 -79.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.563 ' O ' ' CZ2' ' A' ' 92' ' ' TRP . 1.2 p -156.63 -170.77 3.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 0.762 . . . . 0.0 110.02 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.585 HD13 ' CE3' ' A' ' 92' ' ' TRP . 35.5 tp -96.78 -61.45 1.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 53.09 84.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.491 HD23 HD21 ' A' ' 88' ' ' LEU . 49.4 tp -149.25 131.59 15.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.25 137.5 33.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 47' ' ' VAL . 37.0 mt -127.52 154.97 44.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.964 ' HA ' HD21 ' A' ' 81' ' ' LEU . 13.0 pt-20 -156.5 155.43 31.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.529 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . 105.4 -152.65 17.24 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.469 1.105 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . 65.72 -168.8 31.28 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.796 HG13 ' N ' ' A' ' 39' ' ' ASP . 1.7 p 36.25 -148.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.796 ' N ' HG13 ' A' ' 38' ' ' VAL . 9.1 t0 -78.47 52.54 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 96.1 p -92.2 158.87 38.48 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.3 Cg_endo -74.94 3.41 5.61 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.847 HG22 ' HG3' ' A' ' 44' ' ' LYS . 1.4 p -103.48 -45.15 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.43 9.61 81.38 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.847 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -157.84 167.66 29.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.747 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.6 t -85.35 137.22 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 15.5 m -146.99 134.55 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.459 ' HA ' HD23 ' A' ' 34' ' ' LEU . 72.2 t -58.34 119.92 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.511 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 3.3 t -75.96 -46.4 29.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.025 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.92 145.58 5.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.3 t -101.11 89.85 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -40.24 135.55 1.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -83.49 138.52 33.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.34 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 103.96 -39.35 2.84 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -57.07 -170.53 0.15 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.644 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -86.07 -31.42 21.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.18 -55.52 32.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -58.41 -46.48 86.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.349 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.66 -51.38 12.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.451 ' CG ' HG12 ' A' ' 24' ' ' ILE . 30.3 t-80 -52.55 -65.58 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.558 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.425 ' O ' ' ND1' ' A' ' 59' ' ' HIS . . . 78.28 -169.9 54.63 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.122 . . . . 0.0 111.045 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.23 -30.12 8.05 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.468 HG21 HD11 ' A' ' 22' ' ' LEU . 2.0 t -131.57 157.8 43.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.4 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 26.8 m -125.23 -166.02 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.511 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.1 OUTLIER -77.88 167.75 21.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.65 -0.4 89.21 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.973 ' HB3' HG21 ' A' ' 103' ' ' VAL . 0.5 OUTLIER -57.58 154.41 11.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.967 ' C ' HG23 ' A' ' 103' ' ' VAL . 3.4 mt-10 -93.1 73.08 4.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.606 HD13 ' HB ' ' A' ' 103' ' ' VAL . 15.4 mm -58.09 142.66 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.659 ' O ' HG22 ' A' ' 76' ' ' VAL . 25.1 mtm -142.12 -45.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.719 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -136.44 137.05 40.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.741 HD12 HG11 ' A' ' 76' ' ' VAL . 29.6 mt -116.6 108.56 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 71' ' ' ILE . 0.2 OUTLIER 82.48 -52.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -176.55 -37.31 0.05 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.2 tptt -64.88 141.29 58.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 0.752 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.816 HG23 HG23 ' A' ' 77' ' ' THR . 26.5 mt -78.68 132.12 32.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.741 HG11 HD12 ' A' ' 71' ' ' ILE . 11.6 m -122.63 22.95 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.816 HG23 HG23 ' A' ' 75' ' ' ILE . 40.8 p -57.56 -64.93 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.407 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -97.35 40.46 1.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.563 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.3 OUTLIER -100.11 152.01 20.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.557 HG22 HG23 ' A' ' 38' ' ' VAL . 6.6 p -90.18 153.53 20.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.416 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.964 HD21 ' HA ' ' A' ' 35' ' ' GLU . 5.1 mt -39.9 -64.72 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -45.82 -55.09 7.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.563 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -45.78 -69.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -54.94 -63.08 1.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 84' ' ' ALA . 22.5 mt-10 -36.49 -47.25 0.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 110.326 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.09 -61.2 1.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.2 -51.9 2.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.627 ' HB2' HD13 ' A' ' 71' ' ' ILE . 4.6 tp -56.21 -62.93 1.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.578 ' OE1' HD23 ' A' ' 30' ' ' LEU . 13.8 mm100 -48.32 -50.61 29.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 89' ' ' GLN . 23.6 mttt -39.73 -58.74 1.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.409 ' O ' ' NZ ' ' A' ' 26' ' ' LYS . . . -46.29 -44.2 16.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.644 ' CH2' ' HB3' ' A' ' 55' ' ' ALA . 5.3 t-105 -68.65 -48.88 62.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 108.021 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 94' ' ' GLN . 4.9 m120 -53.46 -45.53 69.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 93' ' ' ASN . 10.0 mt-30 -36.46 -43.42 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.275 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 95.0 66.48 1.0 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.443 1.089 . . . . 0.0 111.034 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -106.49 -166.18 22.73 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -97.83 -44.87 6.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.766 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.574 ' CD2' ' NH1' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -142.6 175.48 9.77 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.495 HG23 ' HB ' ' A' ' 24' ' ' ILE . 5.5 tt -140.77 140.93 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.889 ' CG ' HD11 ' A' ' 21' ' ' LEU . 1.7 m-20 -100.23 143.02 30.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.455 HD11 HD12 ' A' ' 24' ' ' ILE . 75.1 mt -128.35 126.04 39.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.719 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 38.9 t -103.12 99.4 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.973 HG21 ' HB3' ' A' ' 66' ' ' ASP . 3.5 p -146.27 147.27 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 18' ' ' ASP . . . -69.8 143.88 52.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.501 HG12 ' HB3' ' A' ' 18' ' ' ASP . 9.0 p . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.344 -0.614 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.8 p -105.51 -38.87 6.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.407 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.459 ' O ' HD11 ' A' ' 75' ' ' ILE . 3.2 mpp? -89.51 43.96 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 111.052 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -146.53 164.47 32.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.79 161.18 78.8 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.027 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -27.75 9.86 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.9 16.8 13.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -116.87 -53.63 2.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.3 pt -68.95 -41.26 81.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.31 124.45 6.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.27 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.8 -41.05 3.04 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -62.03 161.16 11.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 109.299 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.54 86.07 2.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 92.6 t -95.86 131.01 43.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.439 ' HG3' HG23 ' A' ' 105' ' ' VAL . 7.9 mtp180 -132.37 132.3 42.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.671 HD12 ' N ' ' A' ' 22' ' ' LEU . 1.8 tp -90.77 119.72 31.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.671 ' N ' HD12 ' A' ' 21' ' ' LEU . 9.1 mt -113.29 144.56 42.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.5 ttp-105 -120.39 115.59 23.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.747 HD12 HD12 ' A' ' 101' ' ' LEU . 53.7 mt -98.25 155.04 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -89.79 144.83 25.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.253 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.537 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 16.5 mttt -96.33 76.9 2.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -121.84 133.08 54.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.82 -76.17 0.71 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 2.6 m -169.92 -175.07 1.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.771 . . . . 0.0 110.002 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.535 HD13 ' CE3' ' A' ' 92' ' ' TRP . 27.1 tp -91.65 -85.98 0.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 72.21 87.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.512 ' CD1' HG22 ' A' ' 50' ' ' VAL . 6.1 tp -149.62 130.19 13.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.408 ' O ' HD23 ' A' ' 34' ' ' LEU . . . -94.33 151.73 19.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.582 ' C ' HD21 ' A' ' 81' ' ' LEU . 83.2 mt -132.99 158.35 42.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.55 ' O ' HG22 ' A' ' 46' ' ' VAL . 16.8 pt-20 -156.34 142.27 18.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 110.272 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.548 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . 108.42 -138.76 14.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . 60.75 -165.51 14.31 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.764 HG13 ' N ' ' A' ' 39' ' ' ASP . 2.9 p 33.41 -145.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.775 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.764 ' N ' HG13 ' A' ' 38' ' ' VAL . 4.7 p-10 -80.39 52.16 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 96.3 p -88.07 160.33 46.39 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.588 1.18 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.447 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.4 Cg_endo -74.96 -2.61 12.76 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.529 1.805 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.902 HG22 ' HG3' ' A' ' 44' ' ' LYS . 3.0 p -94.39 -41.2 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.42 -1.99 86.18 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.902 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -146.29 162.26 38.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 0.782 . . . . 0.0 109.237 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.8 t -79.45 139.53 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 35' ' ' GLU . 17.0 m -146.94 134.46 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.18 128.78 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.6 t -80.22 -47.56 14.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.966 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.86 151.79 7.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.523 HG21 ' O ' ' A' ' 62' ' ' VAL . 52.9 t -108.97 89.74 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 -41.37 120.93 1.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.49 -21.2 66.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -98.01 55.65 1.14 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.59 -165.07 13.83 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.608 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -90.58 -32.77 16.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.55 -57.59 7.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' ARG . 8.5 tm-20 -54.01 -52.68 60.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -38.16 -58.49 0.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.493 ' CG ' HG12 ' A' ' 24' ' ' ILE . 41.7 t-80 -50.29 -64.11 0.91 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 0.0 109.595 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.75 68.35 1.48 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.547 1.154 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -139.81 -59.18 0.04 OUTLIER Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.523 ' O ' HG21 ' A' ' 50' ' ' VAL . 11.4 p -90.81 124.29 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.439 HG23 ' N ' ' A' ' 64' ' ' LYS . 2.8 m -103.88 -165.17 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.439 ' N ' HG23 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -84.87 149.05 25.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.52 45.83 82.0 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.71 -172.25 3.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.667 ' HB2' ' HB3' ' A' ' 104' ' ' ALA . 59.5 mt-10 -115.84 56.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.8 mm -54.32 139.44 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.706 ' O ' HG22 ' A' ' 76' ' ' VAL . 22.8 mtm -134.82 -51.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.679 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -127.28 152.66 47.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.837 HD13 ' HB2' ' A' ' 88' ' ' LEU . 26.5 mt -126.96 115.36 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 49.85 23.89 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 115.31 -56.73 0.5 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.428 1.08 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.1 126.89 11.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.677 HG23 HG23 ' A' ' 77' ' ' THR . 25.9 mt -73.15 133.8 31.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.706 HG22 ' O ' ' A' ' 69' ' ' MET . 16.0 m -122.64 23.13 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.677 HG23 HG23 ' A' ' 75' ' ' ILE . 9.1 p -54.01 -79.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.392 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -90.59 41.54 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.432 ' CG ' ' HA ' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -98.59 156.05 16.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.513 HG22 ' CB ' ' A' ' 38' ' ' VAL . 11.3 p -96.66 154.23 17.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.331 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.582 HD21 ' C ' ' A' ' 34' ' ' LEU . 2.0 mt -38.55 -65.99 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 83' ' ' GLU . . . -41.28 -66.87 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -37.2 -70.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.334 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -53.41 -58.76 5.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 81' ' ' LEU . 11.7 mm-40 -36.79 -57.96 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.254 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.32 -56.08 11.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.26 -49.61 2.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.837 ' HB2' HD13 ' A' ' 71' ' ' ILE . 38.4 tp -63.92 -57.06 10.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 92' ' ' TRP . 3.2 mm100 -49.92 -60.0 3.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 89' ' ' GLN . 25.6 mttt -37.85 -51.83 1.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 88' ' ' LEU . . . -51.74 -50.78 59.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.679 ' CZ3' HG21 ' A' ' 99' ' ' ILE . 8.1 t-105 -64.4 -48.94 73.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 108.014 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 94' ' ' GLN . 3.7 m120 -44.28 -42.62 6.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 93' ' ' ASN . 26.5 mt-30 -38.23 -43.64 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.68 29.75 10.47 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -66.8 -174.63 6.42 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.422 ' HB2' ' CE2' ' A' ' 98' ' ' TRP . 1.3 m-20 -88.44 -43.11 11.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 0.749 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.422 ' CE2' ' HB2' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -141.15 174.92 10.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 107.975 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.679 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 5.8 tt -142.23 137.89 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.57 ' CG ' HD11 ' A' ' 21' ' ' LEU . 9.1 m-20 -97.41 138.84 34.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.747 HD12 HD12 ' A' ' 24' ' ' ILE . 49.8 mt -128.12 128.72 45.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.679 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 59.1 t -101.46 100.69 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 104' ' ' ALA . 0.2 OUTLIER -144.66 136.09 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.667 ' HB3' ' HB2' ' A' ' 67' ' ' GLU . . . -62.1 -178.42 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.439 HG23 ' HG3' ' A' ' 20' ' ' ARG . 76.8 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.2 p -47.13 -45.27 22.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.384 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.7 ttm -54.31 -27.16 33.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 111.041 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -108.16 141.1 40.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.14 157.94 5.59 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 110.001 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -17.36 19.63 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -101.04 16.75 24.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.103 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -116.74 -53.96 2.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.5 pt -66.95 -40.33 85.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.27 119.92 2.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.54 -43.0 3.08 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -57.57 173.19 0.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 0.758 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -131.61 88.62 2.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.1 t -104.28 147.18 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.549 ' HG3' HG23 ' A' ' 105' ' ' VAL . 17.0 mtt180 -144.27 121.85 11.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.623 HD12 ' O ' ' A' ' 101' ' ' LEU . 27.2 tp -102.81 129.45 49.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 mt -123.15 152.66 40.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 109.32 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.04 128.81 55.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.732 HD12 HD12 ' A' ' 101' ' ' LEU . 51.6 mt -120.33 149.75 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.88 148.2 32.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.577 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 20.6 mttt -94.72 77.82 3.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.642 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 1.7 tp10 -130.85 155.28 46.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 40.54 58.65 2.48 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.447 ' C ' ' NE1' ' A' ' 92' ' ' TRP . 0.6 OUTLIER 48.21 -167.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.748 . . . . 0.0 109.992 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.531 HD13 ' CE3' ' A' ' 92' ' ' TRP . 43.8 tp -97.01 -69.93 0.74 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 70.55 61.54 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.709 HD23 HD21 ' A' ' 88' ' ' LEU . 29.8 tp -134.41 146.36 49.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -114.4 154.42 28.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 47' ' ' VAL . 52.7 mt -132.7 155.18 49.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.933 ' HA ' HD21 ' A' ' 81' ' ' LEU . 12.2 pt-20 -156.35 144.92 20.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.06 -143.95 18.28 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.486 1.117 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 38' ' ' VAL . . . 52.62 -166.39 1.22 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.807 HG13 ' N ' ' A' ' 39' ' ' ASP . 1.3 p 36.31 -151.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 0.79 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.807 ' N ' HG13 ' A' ' 38' ' ' VAL . 7.4 p-10 -80.74 51.9 1.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.3 p -97.62 161.12 26.9 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -4.72 15.82 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.869 HG12 ' HG2' ' A' ' 44' ' ' LYS . 78.2 t -90.19 -46.37 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.55 23.37 77.11 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.869 ' HG2' HG12 ' A' ' 42' ' ' VAL . 25.9 pttt -168.76 169.6 9.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 0.785 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.1 t -91.46 128.95 42.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 35' ' ' GLU . 28.0 m -144.66 134.58 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.643 HG13 HD11 ' A' ' 32' ' ' LEU . 38.4 t -58.48 114.81 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.477 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 3.4 t -64.35 -47.71 78.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.024 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.38 146.68 6.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.49 HG23 HG11 ' A' ' 47' ' ' VAL . 55.9 t -108.99 93.31 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -52.03 135.62 30.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.07 -11.8 60.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.303 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -100.47 56.45 0.8 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.575 1.172 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -161.5 -170.19 25.84 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.661 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -86.05 -36.41 19.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.33 -59.97 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 58' ' ' ARG . 12.4 tm-20 -53.68 -52.17 60.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -38.5 -46.31 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.258 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.512 ' CG ' HG12 ' A' ' 24' ' ' ILE . 53.5 t-80 -71.47 -64.98 0.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.572 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.75 -109.36 3.83 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.543 1.152 . . . . 0.0 110.96 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 55.01 -91.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.42 HG22 ' N ' ' A' ' 63' ' ' VAL . 10.7 p -87.56 165.09 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.755 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.42 ' N ' HG22 ' A' ' 62' ' ' VAL . 29.7 m -132.54 -166.15 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.477 ' CD ' ' O ' ' A' ' 48' ' ' SER . 1.4 ttpt -66.74 159.2 28.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.84 -12.09 58.08 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.861 ' HB2' HG21 ' A' ' 103' ' ' VAL . 2.3 p-10 -54.51 167.0 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 0.763 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.683 ' C ' HG23 ' A' ' 103' ' ' VAL . 23.2 mt-10 -118.29 90.1 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.524 HG23 ' O ' ' A' ' 102' ' ' VAL . 0.9 OUTLIER -74.53 137.19 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.764 ' O ' HG22 ' A' ' 76' ' ' VAL . 65.0 mtp -110.03 -40.44 4.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 1.07 ' HB3' ' CG1' ' A' ' 102' ' ' VAL . . . -126.96 171.92 10.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.584 HD12 HG11 ' A' ' 76' ' ' VAL . 74.6 mt -146.21 107.24 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 42.52 32.27 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.483 ' O ' ' CG ' ' A' ' 74' ' ' LYS . . . 90.65 73.58 1.27 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.554 1.159 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.908 ' O ' HG13 ' A' ' 76' ' ' VAL . 0.7 OUTLIER -173.77 102.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.26 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.652 HG23 HG23 ' A' ' 77' ' ' THR . 22.0 mm -51.14 117.56 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.908 HG13 ' O ' ' A' ' 74' ' ' LYS . 8.8 m -121.5 22.38 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.652 HG23 HG23 ' A' ' 75' ' ' ILE . 55.8 p -51.68 -57.8 8.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.426 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.6 40.49 2.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.539 ' CG ' ' HA ' ' A' ' 76' ' ' VAL . 0.3 OUTLIER -85.29 177.99 7.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.432 HG22 ' CA ' ' A' ' 38' ' ' VAL . 2.3 p -115.0 152.56 32.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.415 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.933 HD21 ' HA ' ' A' ' 35' ' ' GLU . 4.4 mt -40.73 -63.14 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -43.93 -65.88 0.45 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -39.13 -69.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.287 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -51.92 -65.76 0.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 81' ' ' LEU . 5.4 mt-10 -37.1 -58.65 0.78 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.05 -63.55 1.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.56 -63.57 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.709 HD21 HD23 ' A' ' 32' ' ' LEU . 59.4 tp -44.48 -57.53 3.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 90' ' ' LYS . 57.3 mm-40 -51.43 -60.11 3.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 89' ' ' GLN . 0.9 OUTLIER -39.59 -52.82 2.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 88' ' ' LEU . . . -47.12 -72.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.695 ' CZ3' HG21 ' A' ' 99' ' ' ILE . 5.3 t-105 -49.46 -49.1 46.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 108.018 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 94' ' ' GLN . 1.5 m120 -44.51 -49.15 10.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 93' ' ' ASN . 21.5 mt-30 -35.78 -56.58 0.69 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 108.68 43.96 1.18 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.405 ' CA ' ' HD3' ' A' ' 26' ' ' LYS . . . -77.91 -174.27 42.28 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -90.32 -43.88 10.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 0.734 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -142.23 174.06 10.95 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.695 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 5.3 tt -143.64 133.07 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.591 ' HB3' HD11 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -88.94 126.53 35.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.732 HD12 HD12 ' A' ' 24' ' ' ILE . 39.8 mt -114.32 122.88 48.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 1.07 ' CG1' ' HB3' ' A' ' 70' ' ' ALA . 0.2 OUTLIER -108.66 124.33 65.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.861 HG21 ' HB2' ' A' ' 66' ' ' ASP . 0.8 OUTLIER -153.98 144.57 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.451 ' O ' HG22 ' A' ' 103' ' ' VAL . . . -70.52 169.56 13.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.549 HG23 ' HG3' ' A' ' 20' ' ' ARG . 38.8 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.483 ' HB1' HD12 ' A' ' 14' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.2 p -122.35 -41.65 2.39 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.543 1.152 . . . . 0.0 110.416 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -52.02 -52.45 50.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -73.98 157.75 35.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.72 158.44 74.64 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.988 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -18.23 18.88 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.537 1.809 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.22 15.33 26.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.337 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -115.62 -51.8 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.483 HD12 ' HB1' ' A' ' 6' ' ' ALA . 2.3 pt -69.66 -43.36 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.56 125.59 13.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.93 -49.14 1.04 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -67.27 -177.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.754 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -133.63 85.96 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.328 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.2 t -90.29 132.48 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.493 ' HG3' HG23 ' A' ' 105' ' ' VAL . 4.3 mtp180 -125.04 121.04 33.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 22' ' ' LEU . 9.6 tp -85.87 122.65 30.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.453 ' N ' HD12 ' A' ' 21' ' ' LEU . 13.6 mt -116.2 117.13 29.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.565 ' HD2' ' CE3' ' A' ' 98' ' ' TRP . 0.0 OUTLIER -93.94 120.04 33.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.656 HD12 HD12 ' A' ' 101' ' ' LEU . 85.0 mt -102.62 143.07 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.6 tttm -88.7 145.59 25.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.602 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 0.4 OUTLIER -88.13 92.15 9.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -132.33 125.86 31.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.51 -69.44 0.71 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 m -179.36 170.15 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 109.944 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.514 HD21 HD21 ' A' ' 88' ' ' LEU . 55.5 tp -78.54 -74.59 0.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 60.4 73.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 tp -137.27 131.1 31.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.56 142.28 27.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.521 HD23 ' HA ' ' A' ' 47' ' ' VAL . 28.1 mt -127.62 155.93 43.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.351 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.767 ' HA ' HD21 ' A' ' 81' ' ' LEU . 11.8 pt-20 -151.73 157.05 41.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.484 ' CA ' HG11 ' A' ' 42' ' ' VAL . . . 100.39 -150.0 18.77 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.137 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.733 ' O ' HG12 ' A' ' 38' ' ' VAL . . . 65.17 177.59 6.36 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.849 HG22 ' H ' ' A' ' 39' ' ' ASP . 3.6 p 50.38 -161.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 0.736 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.849 ' H ' HG22 ' A' ' 38' ' ' VAL . 0.8 OUTLIER -69.83 57.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.465 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 43.1 p -98.03 161.25 26.19 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.012 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.465 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.5 Cg_endo -74.93 -1.3 11.02 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.465 1.771 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.808 HG22 ' HG3' ' A' ' 44' ' ' LYS . 1.5 p -94.03 -43.39 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.71 -9.54 76.8 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.528 1.143 . . . . 0.0 110.97 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.808 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -143.95 -175.57 4.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 76.2 t -100.57 140.96 18.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.549 HG12 ' NZ ' ' A' ' 44' ' ' LYS . 10.4 m -146.39 133.82 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.077 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.521 ' HA ' HD23 ' A' ' 34' ' ' LEU . 77.8 t -58.72 124.97 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.504 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 34.3 t -79.38 -48.41 14.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -168.83 136.21 1.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.618 HG23 ' HB3' ' A' ' 56' ' ' ALA . 2.5 p -105.42 95.33 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.421 ' C ' ' O ' ' A' ' 50' ' ' VAL . 7.9 m-30 -35.78 126.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -76.23 108.27 9.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 136.74 -31.56 2.55 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.469 1.105 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -58.81 -156.92 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.488 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -91.39 -33.17 15.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.618 ' HB3' HG23 ' A' ' 50' ' ' VAL . . . -59.7 -53.93 52.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.352 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -48.34 80.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -46.82 -42.08 16.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -54.19 -53.43 53.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.617 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.03 76.33 0.47 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -132.82 -66.59 0.08 OUTLIER Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.656 HG11 ' CG ' ' A' ' 66' ' ' ASP . 38.4 t -129.96 156.78 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 0.782 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.2 m -102.83 179.39 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.085 . . . . 0.0 109.265 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.504 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -55.86 160.44 2.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 66' ' ' ASP . . . 95.17 -24.5 28.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.656 ' CG ' HG11 ' A' ' 62' ' ' VAL . 6.3 t0 -39.89 156.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.483 ' HB2' ' HB3' ' A' ' 104' ' ' ALA . 6.2 mt-10 -93.74 97.86 10.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.3 mm -78.49 160.07 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.54 ' O ' HG22 ' A' ' 76' ' ' VAL . 13.1 mtm -155.9 -52.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.614 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -130.54 141.32 50.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.812 HD13 ' HB2' ' A' ' 88' ' ' LEU . 51.6 mt -118.09 110.06 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.776 HD22 ' HB1' ' A' ' 91' ' ' ALA . 1.2 m-20 55.64 27.65 10.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 109.52 -53.32 0.59 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.99 122.72 7.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.779 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.706 HG23 HG23 ' A' ' 77' ' ' THR . 21.7 mt -70.67 132.39 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.54 HG22 ' O ' ' A' ' 69' ' ' MET . 18.5 m -122.04 22.7 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.706 HG23 HG23 ' A' ' 75' ' ' ILE . 13.0 p -51.4 -84.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.383 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -89.28 42.89 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.556 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -95.62 153.94 17.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.991 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.504 HG22 HG23 ' A' ' 38' ' ' VAL . 3.6 p -90.97 152.71 20.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.399 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.767 HD21 ' HA ' ' A' ' 35' ' ' GLU . 2.9 mt -39.86 -64.85 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.75 -50.98 9.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.556 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -48.77 -69.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -56.94 -64.31 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 84' ' ' ALA . 5.3 mt-10 -36.38 -54.96 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.07 -55.24 17.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -43.9 -65.49 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.812 ' HB2' HD13 ' A' ' 71' ' ' ILE . 15.3 tp -44.13 -54.84 5.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -49.45 -63.21 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -40.04 -59.59 1.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.776 ' HB1' HD22 ' A' ' 72' ' ' ASN . . . -43.41 -53.55 5.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.602 ' CZ2' ' HA ' ' A' ' 26' ' ' LYS . 22.4 t-105 -61.0 -51.73 68.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 108.005 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 94' ' ' GLN . 10.1 m120 -49.37 -49.59 43.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 93' ' ' ASN . 11.1 mt-30 -38.39 -33.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 115.62 -91.9 0.57 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 50.87 175.8 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -97.29 -44.16 7.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.565 ' CE3' ' HD2' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -142.17 167.74 21.39 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.438 HG21 ' CE3' ' A' ' 92' ' ' TRP . 2.3 tt -129.31 136.63 59.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.449 ' OD1' HD11 ' A' ' 21' ' ' LEU . 1.1 m-20 -95.91 112.98 24.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.656 HD12 HD12 ' A' ' 24' ' ' ILE . 96.4 mt -102.35 117.72 35.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.614 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 98.6 t -85.53 98.55 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.37 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.57 HG11 ' CG ' ' A' ' 66' ' ' ASP . 1.3 t -126.71 154.97 37.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.483 ' HB3' ' HB2' ' A' ' 67' ' ' GLU . . . -105.14 163.96 12.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.493 HG23 ' HG3' ' A' ' 20' ' ' ARG . 76.1 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 41.7 p -57.97 -55.73 31.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.383 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.428 ' O ' HD11 ' A' ' 75' ' ' ILE . 4.7 ttp -39.58 -46.57 1.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -86.03 -179.51 6.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.13 167.63 14.65 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.979 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -34.64 3.68 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.536 1.809 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -88.6 20.26 3.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -118.44 -57.02 2.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.276 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.495 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 2.5 pt -67.75 -53.12 33.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 52.41 -134.09 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.2 22.53 25.85 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.128 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 23.9 mtpp -73.23 148.28 43.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 0.737 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.89 89.43 3.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.483 HG11 ' HE1' ' A' ' 69' ' ' MET . 16.2 m -98.7 156.98 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.501 ' HG3' HG23 ' A' ' 105' ' ' VAL . 39.5 mtm180 -124.83 130.11 51.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.605 HD12 ' N ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -88.35 111.08 21.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.647 HD12 HG23 ' A' ' 62' ' ' VAL . 82.2 mt -105.35 155.03 19.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.73 122.99 37.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.935 HD12 HD12 ' A' ' 101' ' ' LEU . 6.4 mt -99.8 155.48 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.5 tttt -91.96 143.9 26.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.449 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 8.6 mttt -89.3 80.94 6.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -126.49 126.12 43.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 41.49 75.51 0.13 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 46.08 -169.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.771 . . . . 0.0 109.973 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.763 HD21 HD21 ' A' ' 88' ' ' LEU . 2.9 tp -116.44 -47.84 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 54.43 72.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.488 HD13 ' CB ' ' A' ' 56' ' ' ALA . 6.0 tp -126.97 151.87 47.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.421 ' O ' HD23 ' A' ' 34' ' ' LEU . . . -114.6 143.48 44.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.601 HD23 ' HA ' ' A' ' 47' ' ' VAL . 51.9 mt -128.16 159.71 34.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.814 ' CA ' HD21 ' A' ' 81' ' ' LEU . 10.7 pt-20 -155.98 165.37 36.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 37' ' ' GLY . . . 104.23 -124.58 8.09 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.456 1.098 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.457 ' C ' ' CG2' ' A' ' 38' ' ' VAL . . . 47.05 -175.44 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.664 HG13 HG22 ' A' ' 80' ' ' THR . 0.3 OUTLIER 41.68 -164.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 0.751 . . . . 0.0 109.292 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -70.29 56.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.456 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 67.8 p -89.76 160.22 41.73 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 110.024 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.456 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.3 Cg_endo -74.98 -2.13 12.14 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.78 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.922 HG12 ' HG3' ' A' ' 44' ' ' LYS . 54.8 t -93.66 -54.36 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.39 28.94 34.6 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.922 ' HG3' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -177.8 167.68 2.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 0.77 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.414 HG12 ' HB ' ' A' ' 68' ' ' ILE . 95.8 t -84.09 135.58 24.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.477 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 19.6 m -146.38 133.71 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.601 ' HA ' HD23 ' A' ' 34' ' ' LEU . 73.5 t -60.77 112.3 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.4 t -66.34 -48.0 71.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.985 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.6 147.26 6.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.867 HG23 ' HB3' ' A' ' 56' ' ' ALA . 1.5 p -112.7 92.24 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -45.99 119.92 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 111.021 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -49.43 -22.7 1.24 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.68 51.28 2.32 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -147.06 -169.25 14.44 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.6 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -91.42 -38.94 12.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 0.804 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.867 ' HB3' HG23 ' A' ' 50' ' ' VAL . . . -47.32 -47.61 25.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -56.14 -54.81 40.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.2 mtt-85 -50.34 -38.81 43.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.509 ' CE1' ' HA3' ' A' ' 61' ' ' GLY . 15.2 t-80 -62.09 -64.34 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.615 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.08 -43.52 3.06 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.509 ' HA3' ' CE1' ' A' ' 59' ' ' HIS . . . -37.83 -48.2 1.87 Allowed Glycine 0 CA--C 1.531 1.043 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.736 HG22 ' OD2' ' A' ' 66' ' ' ASP . 3.3 t -112.57 141.59 27.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 0.78 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.4 m -137.47 -162.76 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -76.38 143.35 40.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.27 -29.41 11.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.924 ' HB3' HG11 ' A' ' 103' ' ' VAL . 0.7 OUTLIER -40.83 141.89 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 0.801 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.837 ' C ' HG13 ' A' ' 103' ' ' VAL . 4.1 mt-10 -87.01 86.69 7.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.663 HD13 HG22 ' A' ' 103' ' ' VAL . 22.7 mm -63.45 148.48 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.715 ' O ' HG22 ' A' ' 76' ' ' VAL . 22.0 mtm -144.39 -47.02 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.418 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -131.11 155.13 47.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.746 HD13 ' HB2' ' A' ' 88' ' ' LEU . 40.3 mt -131.82 107.47 13.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 59.25 24.19 12.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 112.18 -55.87 0.49 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.22 121.77 3.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.77 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.639 HG23 HG23 ' A' ' 77' ' ' THR . 17.2 mt -68.56 130.79 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.715 HG22 ' O ' ' A' ' 69' ' ' MET . 13.7 m -123.38 23.41 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.639 HG23 HG23 ' A' ' 75' ' ' ILE . 25.0 p -55.76 -55.05 36.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 110.39 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.34 35.59 2.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.62 ' CD2' HG12 ' A' ' 76' ' ' VAL . 0.4 OUTLIER -94.22 146.72 23.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.664 HG22 HG13 ' A' ' 38' ' ' VAL . 1.1 p -88.96 155.09 19.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.422 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.814 HD21 ' CA ' ' A' ' 35' ' ' GLU . 9.8 mt -41.09 -63.89 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.88 -50.13 19.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.79 -69.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -56.56 -62.81 1.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 81' ' ' LEU . 7.3 mt-10 -37.78 -45.32 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.4 -58.33 3.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -42.38 -63.25 0.79 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.085 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.763 HD21 HD21 ' A' ' 30' ' ' LEU . 24.2 tp -43.69 -54.06 5.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -47.25 -65.54 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 89' ' ' GLN . 30.1 mttt -39.47 -62.21 0.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' A' ' 94' ' ' GLN . . . -40.96 -62.52 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.6 ' CH2' ' HB3' ' A' ' 55' ' ' ALA . 8.3 t-105 -54.05 -51.38 64.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 108.032 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 94' ' ' GLN . 1.6 m120 -47.83 -52.68 18.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 93' ' ' ASN . 13.3 mt-30 -34.64 -52.65 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.415 ' O ' ' CD ' ' A' ' 26' ' ' LYS . . . 137.1 -102.79 0.4 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 58.84 174.57 0.57 Allowed Glycine 0 CA--C 1.529 0.969 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -97.95 -43.38 7.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 0.745 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -140.25 158.71 43.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 108.012 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.52 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 2.0 tt -117.41 159.06 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.617 ' O ' HD23 ' A' ' 101' ' ' LEU . 2.8 m-20 -112.54 137.26 51.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.935 HD12 HD12 ' A' ' 24' ' ' ILE . 39.3 mt -139.24 135.39 33.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.418 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 45.6 t -109.58 117.46 54.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.924 HG11 ' HB3' ' A' ' 66' ' ' ASP . 6.9 t -134.46 149.7 30.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.75 154.4 23.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.501 HG23 ' HG3' ' A' ' 20' ' ' ARG . 4.1 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.7 p -145.51 -53.64 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 110.397 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.744 ' HB3' HD11 ' A' ' 75' ' ' ILE . 16.9 mtm -42.7 -50.02 5.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.624 ' CZ ' ' SD ' ' A' ' 69' ' ' MET . 23.5 m-85 -66.83 -160.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.76 169.06 11.05 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -10.73 21.26 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.797 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.4 16.84 21.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 14' ' ' ILE . 8.2 tp60 -120.57 -49.91 2.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.402 ' N ' ' HG3' ' A' ' 13' ' ' GLN . 1.1 pt -73.76 -45.7 49.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -42.37 121.9 2.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.79 -50.19 0.98 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -69.92 172.55 7.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 109.235 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.91 86.31 2.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.363 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 62.5 t -80.14 142.5 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -135.96 130.31 33.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.498 HD12 ' N ' ' A' ' 22' ' ' LEU . 3.5 tp -91.46 114.59 27.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.498 ' N ' HD12 ' A' ' 21' ' ' LEU . 36.9 mt -111.76 103.99 12.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.439 ' CZ ' ' OD1' ' A' ' 100' ' ' ASP . 0.6 OUTLIER -83.73 117.74 23.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.32 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.964 HD12 ' CD1' ' A' ' 101' ' ' LEU . 11.9 mt -95.52 155.06 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -92.18 148.31 22.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.6 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 4.0 mttp -98.28 84.05 3.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.91 120.51 29.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.24 -67.05 3.36 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.444 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 3.3 m -177.38 -175.41 0.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.611 HD13 ' CZ3' ' A' ' 92' ' ' TRP . 58.4 tp -90.29 -79.2 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.425 ' HB3' ' CD2' ' A' ' 51' ' ' TYR . 0.8 OUTLIER 68.72 64.87 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.728 ' CD1' HG22 ' A' ' 50' ' ' VAL . 18.8 tp -131.32 130.6 42.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.35 152.83 20.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.247 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.598 HD23 ' HA ' ' A' ' 47' ' ' VAL . 72.1 mt -131.72 160.99 33.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.902 ' HA ' HD21 ' A' ' 81' ' ' LEU . 12.0 pt-20 -153.18 139.24 18.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.461 ' HA2' ' CB ' ' A' ' 40' ' ' SER . . . 93.42 -143.3 16.42 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.504 1.127 . . . . 0.0 110.979 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . 86.04 -71.8 2.79 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.827 HG23 HG22 ' A' ' 80' ' ' THR . 2.8 p -59.96 -149.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 0.77 . . . . 0.0 109.347 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.734 ' N ' HG13 ' A' ' 38' ' ' VAL . 53.3 p-10 -79.86 51.29 1.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.536 ' CB ' ' CD ' ' A' ' 41' ' ' PRO . 0.7 OUTLIER -89.88 179.9 1.4 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.995 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.536 ' CD ' ' CB ' ' A' ' 40' ' ' SER . 18.4 Cg_endo -74.98 -4.6 15.64 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.529 1.805 . . . . 0.0 111.044 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.717 HG12 ' HG3' ' A' ' 44' ' ' LYS . 7.8 t -101.28 -58.79 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.66 12.1 64.96 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.717 ' HG3' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -145.59 174.22 11.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 0.798 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.9 t -99.26 114.61 37.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.44 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 21.9 m -127.37 135.19 64.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.598 ' HA ' HD23 ' A' ' 34' ' ' LEU . 23.5 t -57.79 115.69 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.508 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 6.2 t -67.73 -45.03 76.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.022 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.67 146.97 5.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.728 HG22 ' CD1' ' A' ' 32' ' ' LEU . 25.4 t -110.0 90.26 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.425 ' CD2' ' HB3' ' A' ' 31' ' ' ASP . 4.1 m-30 -40.11 124.04 1.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 16.1 pt-20 -78.87 53.32 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.363 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -157.5 -39.44 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.35 -161.35 0.48 Allowed Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.612 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -86.05 -34.39 20.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 0.768 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -44.88 -59.76 2.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -52.23 -53.37 44.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.263 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -39.3 -57.75 1.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.462 ' CG ' HG12 ' A' ' 24' ' ' ILE . 9.4 t-80 -41.81 -50.22 4.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.597 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.83 66.21 2.7 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -138.06 -80.46 0.08 OUTLIER Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.447 HG22 ' HB3' ' A' ' 66' ' ' ASP . 9.9 p -87.25 140.72 15.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.483 0.755 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.0 m -114.73 -173.5 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.508 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.4 OUTLIER -70.2 143.69 52.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.16 -3.57 62.04 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.447 ' HB3' HG22 ' A' ' 62' ' ' VAL . 41.2 p-10 -56.75 -165.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 0.766 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -134.45 77.41 1.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.404 HD11 ' OD2' ' A' ' 66' ' ' ASP . 1.6 mm -70.8 109.44 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.698 ' HG2' HG12 ' A' ' 102' ' ' VAL . 6.2 ptm -95.31 -34.75 12.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.965 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.725 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -137.59 175.73 9.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 1.036 HD12 HG11 ' A' ' 76' ' ' VAL . 83.4 mt -144.28 107.34 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.603 HD22 ' HB1' ' A' ' 91' ' ' ALA . 1.3 t-20 53.1 22.75 2.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.404 ' O ' ' SD ' ' A' ' 8' ' ' MET . . . 114.37 -59.45 0.4 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.434 ' O ' HG13 ' A' ' 76' ' ' VAL . 6.5 mttp -45.2 112.58 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 0.733 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.829 HG23 HG23 ' A' ' 77' ' ' THR . 32.9 mt -60.68 133.22 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.036 HG11 HD12 ' A' ' 71' ' ' ILE . 14.5 m -123.81 23.08 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.829 HG23 HG23 ' A' ' 75' ' ' ILE . 81.3 p -65.27 -21.31 66.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.417 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.5 p30 -132.89 28.92 4.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.524 ' CD2' HG12 ' A' ' 76' ' ' VAL . 0.7 OUTLIER -95.56 141.71 28.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.105 . . . . 0.0 110.948 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.827 HG22 HG23 ' A' ' 38' ' ' VAL . 5.3 p -85.11 156.94 20.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 110.389 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.902 HD21 ' HA ' ' A' ' 35' ' ' GLU . 4.3 mt -39.64 -63.63 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.28 -59.15 3.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.095 . . . . 0.0 109.323 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -43.06 -68.22 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.333 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -54.59 -65.12 0.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 84' ' ' ALA . 6.9 mt-10 -37.37 -46.88 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.02 -57.53 4.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 88' ' ' LEU . . . -42.58 -65.81 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.467 ' HG ' ' CD2' ' A' ' 30' ' ' LEU . 10.9 tp -40.38 -58.43 1.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' TRP . 11.7 mm100 -49.32 -58.39 5.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -40.23 -57.38 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.603 ' HB1' HD22 ' A' ' 72' ' ' ASN . . . -47.84 -43.19 27.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.612 ' CH2' ' HB3' ' A' ' 55' ' ' ALA . 10.3 t-105 -69.07 -46.18 68.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 108.007 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 94' ' ' GLN . 5.2 m-80 -56.99 -44.84 83.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 93' ' ' ASN . 20.5 mt-30 -37.85 -59.8 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.401 ' O ' ' HD3' ' A' ' 26' ' ' LYS . . . 143.33 -104.56 0.35 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 54.83 171.94 0.07 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.543 ' HB3' ' CD2' ' A' ' 98' ' ' TRP . 0.8 OUTLIER -90.19 -43.94 10.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.755 . . . . 0.0 109.309 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.543 ' CD2' ' HB3' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -136.52 175.32 9.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 107.975 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.45 ' HB ' ' NZ ' ' A' ' 26' ' ' LYS . 5.3 tt -130.58 154.94 41.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.439 ' OD1' ' CZ ' ' A' ' 23' ' ' ARG . 13.1 m-20 -110.63 133.42 53.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.964 ' CD1' HD12 ' A' ' 24' ' ' ILE . 12.1 mt -126.3 133.58 51.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.725 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 78.8 t -106.91 120.64 58.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -151.07 148.07 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.57 174.5 5.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.0 p -92.49 11.14 27.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.39 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.21 -30.56 7.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -98.89 131.87 44.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.1 160.65 0.65 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.033 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -19.49 17.9 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.516 1.798 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -98.94 14.73 28.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 -112.42 -55.26 2.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.6 pt -65.06 -56.33 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 40.55 77.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.26 -42.19 3.13 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -40.37 107.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -83.17 101.9 11.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.516 ' CG1' ' CG1' ' A' ' 102' ' ' VAL . 99.6 t -78.56 134.29 28.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.49 ' HG3' HG23 ' A' ' 105' ' ' VAL . 1.3 mtt180 -126.19 123.66 38.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.2 tp -92.19 103.7 16.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.662 ' CD1' HG23 ' A' ' 62' ' ' VAL . 58.8 mt -94.95 137.26 34.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.568 ' CZ ' ' CE3' ' A' ' 98' ' ' TRP . 0.0 OUTLIER -106.36 116.94 32.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.893 HD12 ' CD1' ' A' ' 101' ' ' LEU . 50.7 mt -100.61 152.66 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 ttmm -81.46 139.03 35.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.58 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 9.9 mttt -89.91 82.2 6.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.924 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 2.0 tp10 -129.91 135.58 48.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 43.47 63.46 2.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.503 ' O ' ' CZ2' ' A' ' 92' ' ' TRP . 0.2 OUTLIER 53.26 -161.01 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.759 . . . . 0.0 109.993 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.767 HD13 ' CZ3' ' A' ' 92' ' ' TRP . 45.5 tp -100.46 -69.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 70.0 74.44 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.909 ' CD1' HG22 ' A' ' 50' ' ' VAL . 4.2 tp -147.06 136.29 22.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.411 ' O ' HD23 ' A' ' 34' ' ' LEU . . . -94.86 146.06 24.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' ' 33' ' ' ALA . 28.7 mt -128.02 155.91 43.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.797 ' HA ' HD21 ' A' ' 81' ' ' LEU . 18.9 pt-20 -155.89 149.09 24.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.525 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . 106.04 -147.32 16.22 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . 67.39 -169.4 36.79 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.803 HG13 ' N ' ' A' ' 39' ' ' ASP . 1.5 p 36.53 -150.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 0.0 109.263 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.803 ' N ' HG13 ' A' ' 38' ' ' VAL . 2.2 m-20 -77.57 54.79 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 82.4 p -91.44 160.0 37.81 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.986 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.2 Cg_endo -75.05 -1.82 11.74 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.78 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.901 HG22 ' HG3' ' A' ' 44' ' ' LYS . 2.4 p -94.34 -41.35 12.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.7 -0.01 89.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.901 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -150.12 170.45 18.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 38.3 t -88.62 138.22 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.509 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 12.1 m -146.57 134.45 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.716 ' CG1' HD11 ' A' ' 32' ' ' LEU . 63.6 t -63.46 120.02 9.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.441 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 21.7 t -69.25 -49.76 53.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.06 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.56 150.39 7.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.251 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.909 HG22 ' CD1' ' A' ' 32' ' ' LEU . 78.3 t -108.8 99.73 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -49.51 108.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -47.36 -25.15 0.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.49 65.1 1.83 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -165.97 -175.95 36.86 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.924 ' HB2' ' O ' ' A' ' 27' ' ' GLU . . . -82.78 -29.39 29.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 0.756 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.27 -51.62 63.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 58' ' ' ARG . 7.9 tm-20 -56.82 -53.35 58.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 57' ' ' GLU . 6.8 mtp85 -37.21 -52.27 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.453 ' CG ' HG12 ' A' ' 24' ' ' ILE . 22.8 t-80 -56.07 -64.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.571 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.09 -34.36 4.31 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.1 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -40.2 -62.8 1.45 Allowed Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.666 HG22 ' OD2' ' A' ' 66' ' ' ASP . 3.0 t -89.9 137.52 21.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.1 m -127.18 -156.74 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.441 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.1 OUTLIER -88.06 135.26 33.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.57 -23.4 32.93 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.914 ' HB3' HG11 ' A' ' 103' ' ' VAL . 0.5 OUTLIER -41.75 136.15 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 0.733 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.753 ' C ' HG13 ' A' ' 103' ' ' VAL . 12.7 tt0 -78.31 96.78 5.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 110.238 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.696 HD13 HG22 ' A' ' 103' ' ' VAL . 12.0 mm -78.58 140.04 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.66 ' O ' HG22 ' A' ' 76' ' ' VAL . 38.5 mtm -143.04 -48.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.653 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -126.49 142.29 51.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.834 HD13 ' HB2' ' A' ' 88' ' ' LEU . 93.1 mt -127.48 115.38 39.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.507 ' ND2' ' HB1' ' A' ' 91' ' ' ALA . 3.1 m120 59.93 16.22 5.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.252 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 109.95 -33.03 6.26 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.44 1.088 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -59.39 138.78 57.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.769 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.759 HG23 HG23 ' A' ' 77' ' ' THR . 19.7 mm -79.88 118.94 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 69' ' ' MET . 14.5 m -123.76 23.05 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.759 HG23 HG23 ' A' ' 75' ' ' ILE . 70.4 p -56.3 -58.84 6.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -105.16 42.08 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.534 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -94.77 144.87 25.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.608 HG22 HG23 ' A' ' 38' ' ' VAL . 3.1 p -83.46 156.19 23.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.405 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.797 HD21 ' HA ' ' A' ' 35' ' ' GLU . 3.0 mt -39.54 -63.17 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.29 -65.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.534 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 11.3 mt-10 -39.35 -69.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.23 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -51.66 -65.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 84' ' ' ALA . 5.9 mt-10 -36.89 -58.31 0.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 87' ' ' ALA . . . -61.18 -64.83 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 86' ' ' ALA . . . -39.57 -65.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.834 ' HB2' HD13 ' A' ' 71' ' ' ILE . 14.8 tp -40.52 -53.37 2.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 92' ' ' TRP . 13.0 mm100 -58.66 -58.89 6.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -39.84 -54.53 2.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.507 ' HB1' ' ND2' ' A' ' 72' ' ' ASN . . . -49.68 -45.47 48.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.873 ' CZ3' HG21 ' A' ' 99' ' ' ILE . 8.2 t-105 -68.46 -48.69 63.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 108.004 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 94' ' ' GLN . 4.0 m120 -45.75 -41.43 10.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 93' ' ' ASN . 30.8 mt-30 -35.91 -47.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.46 104.07 1.23 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.465 ' CA ' ' HD3' ' A' ' 26' ' ' LYS . . . -147.58 -162.87 10.29 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -95.98 -43.83 7.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.568 ' CE3' ' CZ ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -142.14 145.62 34.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 107.997 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.873 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 8.3 tt -110.7 152.72 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -100.28 138.66 37.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.893 ' CD1' HD12 ' A' ' 24' ' ' ILE . 11.0 mt -142.82 118.23 10.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.653 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 94.7 t -95.76 129.76 45.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.914 HG11 ' HB3' ' A' ' 66' ' ' ASP . 43.0 t -150.25 147.7 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.642 ' HB3' ' HB3' ' A' ' 67' ' ' GLU . . . -85.5 151.32 24.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.49 HG23 ' HG3' ' A' ' 20' ' ' ARG . 31.1 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.6 p -39.38 -55.74 1.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -40.88 -42.06 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -93.14 176.41 6.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.72 157.51 46.41 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.941 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -12.93 21.47 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.533 1.807 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -105.98 14.57 27.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -116.55 -53.98 2.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.281 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.2 pt -66.32 -35.34 74.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.14 124.37 7.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.88 -37.78 3.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -69.67 169.55 12.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.787 . . . . 0.0 109.299 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.416 ' O ' ' HA ' ' A' ' 104' ' ' ALA . 25.1 m-20 -126.02 90.97 3.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -112.42 122.39 66.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.408 ' HG3' HG23 ' A' ' 105' ' ' VAL . 0.5 OUTLIER -115.34 159.44 21.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.862 HD11 ' CG ' ' A' ' 100' ' ' ASP . 16.7 tp -120.23 105.78 11.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 mt -102.07 132.71 47.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.461 ' HD3' ' CB ' ' A' ' 98' ' ' TRP . 0.3 OUTLIER -98.01 101.91 13.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.294 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.7 ' CD1' HD12 ' A' ' 101' ' ' LEU . 10.6 mt -85.49 155.12 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -96.01 141.44 29.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.422 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 22.7 mttt -88.64 74.69 8.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -125.36 149.64 47.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 110.302 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.05 -80.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 27' ' ' GLU . 3.4 m 179.67 161.44 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 0.733 . . . . 0.0 110.024 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.691 HD21 HD11 ' A' ' 88' ' ' LEU . 39.2 tp -73.11 -77.84 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 68.36 59.34 0.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.504 HD23 HD21 ' A' ' 88' ' ' LEU . 9.1 tp -124.43 128.68 49.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.427 ' O ' HD23 ' A' ' 34' ' ' LEU . . . -93.1 151.82 19.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 47' ' ' VAL . 23.5 mt -131.3 156.66 45.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.858 ' HA ' HD21 ' A' ' 81' ' ' LEU . 12.5 pt-20 -153.57 161.78 41.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 110.326 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.695 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . 93.05 -130.8 10.49 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.655 ' O ' HG12 ' A' ' 38' ' ' VAL . . . 52.49 174.55 0.04 OUTLIER Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.714 HG13 ' N ' ' A' ' 39' ' ' ASP . 2.0 p 48.31 -154.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 0.729 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.714 ' N ' HG13 ' A' ' 38' ' ' VAL . 4.5 t0 -70.13 56.55 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.54 ' HB2' HG12 ' A' ' 42' ' ' VAL . 13.0 p -96.41 159.93 30.78 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.2 Cg_endo -75.03 -3.87 14.56 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.868 HG22 ' HG3' ' A' ' 44' ' ' LYS . 1.6 p -91.1 -38.71 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.02 -0.81 86.71 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.488 1.118 . . . . 0.0 111.039 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.868 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -149.88 -175.22 4.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 109.294 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.5 t -98.63 138.02 24.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.485 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 4.9 m -146.41 132.46 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.466 ' CG1' HD11 ' A' ' 32' ' ' LEU . 69.1 t -59.51 119.92 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.0 t -70.66 -49.83 43.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.028 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -167.25 148.12 5.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.329 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.62 HG23 ' HB3' ' A' ' 56' ' ' ALA . 3.9 p -122.04 89.73 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -45.3 114.98 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 111.043 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -46.91 -25.16 0.72 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.88 44.01 3.28 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -134.82 -171.02 12.35 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.559 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -90.83 -26.15 19.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 0.797 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.62 ' HB3' HG23 ' A' ' 50' ' ' VAL . . . -59.02 -51.78 68.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.432 1.083 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -64.54 -44.77 89.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -47.34 -31.06 3.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 0.0 110.29 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.516 ' CD2' ' HA ' ' A' ' 24' ' ' ILE . 56.4 t-80 -79.06 -60.38 2.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.596 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.74 136.2 7.05 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 125.13 -46.0 1.12 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.405 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 1.5 p -99.8 119.83 48.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.47 HG23 ' N ' ' A' ' 64' ' ' LYS . 4.5 m -127.86 -157.62 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.47 ' N ' HG23 ' A' ' 63' ' ' VAL . 3.5 ttpt -82.21 149.55 27.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.097 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.1 -15.11 60.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.835 ' HB3' HG21 ' A' ' 103' ' ' VAL . 0.6 OUTLIER -47.31 169.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 0.786 . . . . 0.0 109.326 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.811 ' C ' HG23 ' A' ' 103' ' ' VAL . 46.6 mt-10 -114.72 75.6 0.94 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.7 mm -62.23 134.98 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.58 ' O ' HG22 ' A' ' 76' ' ' VAL . 26.7 mtm -130.83 -43.67 1.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.791 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -136.66 130.28 31.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.832 HD12 HG11 ' A' ' 76' ' ' VAL . 7.8 mt -112.27 107.29 22.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 71' ' ' ILE . 4.2 t-20 81.04 -55.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 170.11 40.09 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.716 ' O ' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -139.83 112.31 7.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 0.767 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.529 HG23 HG23 ' A' ' 77' ' ' THR . 4.7 mt -52.6 125.95 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.832 HG11 HD12 ' A' ' 71' ' ' ILE . 24.5 m -124.22 17.56 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.529 HG23 HG23 ' A' ' 75' ' ' ILE . 32.0 p -59.65 -40.21 86.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.6 37.62 3.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.457 ' CD2' HG12 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -101.6 158.03 16.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.599 HG22 HG23 ' A' ' 38' ' ' VAL . 6.0 p -96.74 156.59 16.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.401 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.858 HD21 ' HA ' ' A' ' 35' ' ' GLU . 5.0 mt -39.44 -63.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.52 -66.31 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.429 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 54.7 mt-10 -38.82 -69.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -51.42 -65.47 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 84' ' ' ALA . 7.8 mt-10 -36.81 -52.2 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.06 -61.05 2.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.42 -48.24 3.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.691 HD11 HD21 ' A' ' 30' ' ' LEU . 4.5 tp -57.32 -54.15 50.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 90' ' ' LYS . 15.4 mt-30 -57.6 -60.9 2.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.14 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 89' ' ' GLN . 4.6 mmtm -37.54 -39.64 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 88' ' ' LEU . . . -61.14 -67.28 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.621 ' CZ3' HD13 ' A' ' 30' ' ' LEU . 8.7 t-105 -54.54 -42.3 70.77 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.485 ' O ' ' C ' ' A' ' 94' ' ' GLN . 3.9 m120 -49.51 -47.06 49.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.087 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.485 ' C ' ' O ' ' A' ' 93' ' ' ASN . 26.1 mt-30 -32.38 -58.72 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 98.63 60.39 0.89 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -99.25 -160.97 29.31 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.535 ' HB3' ' CD2' ' A' ' 98' ' ' TRP . 28.9 m-20 -98.41 -45.14 6.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.535 ' CD2' ' HB3' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -138.01 166.52 23.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 0.0 108.02 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.552 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 8.5 tt -136.53 165.47 28.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.862 ' CG ' HD11 ' A' ' 21' ' ' LEU . 2.6 m-20 -126.87 138.82 53.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.7 HD12 ' CD1' ' A' ' 24' ' ' ILE . 80.5 mt -131.2 112.94 13.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.791 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 53.8 t -90.66 103.32 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.835 HG21 ' HB3' ' A' ' 66' ' ' ASP . 2.0 p -140.4 141.17 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 18' ' ' ASP . . . -77.97 150.82 33.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.408 HG23 ' HG3' ' A' ' 20' ' ' ARG . 58.9 t . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 8' ' ' MET . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 68.45 -60.64 0.42 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 110.39 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -55.36 -41.28 72.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -87.09 153.97 21.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.37 159.11 82.53 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -14.51 21.22 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.475 1.776 . . . . 0.0 111.019 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.45 11.12 32.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -111.68 -41.95 3.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 110.32 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.2 pt -81.27 -32.82 12.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.17 118.93 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.33 -45.82 2.41 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.459 1.099 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.6 mttm -62.57 148.67 45.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 0.772 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.629 ' HB3' HG12 ' A' ' 105' ' ' VAL . 5.2 m-20 -104.13 85.3 2.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.418 HG12 ' H ' ' A' ' 19' ' ' VAL . 0.7 OUTLIER -88.02 117.79 32.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.1 mtp85 -123.62 135.19 53.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.274 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.647 HD11 ' CG ' ' A' ' 100' ' ' ASP . 27.0 tp -95.98 133.42 40.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.566 HD12 HG23 ' A' ' 62' ' ' VAL . 31.9 mt -130.9 141.72 50.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.83 120.68 41.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.695 ' CD1' HD12 ' A' ' 101' ' ' LEU . 19.6 mt -103.49 152.46 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.41 143.91 25.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.577 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 13.1 mttt -89.14 79.71 7.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -130.85 125.1 32.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.12 -78.13 2.03 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.435 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 3.5 m 179.95 173.09 0.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 110.051 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.746 HD13 ' CE3' ' A' ' 92' ' ' TRP . 27.9 tp -87.88 -77.31 0.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 63.13 55.27 1.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.504 HD23 HD21 ' A' ' 88' ' ' LEU . 19.9 tp -117.12 130.91 56.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.148 . . . . 0.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.43 145.7 24.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 76.0 mt -129.62 159.72 35.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.967 ' HA ' HD21 ' A' ' 81' ' ' LEU . 11.3 pt-20 -155.53 155.57 33.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.548 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . 104.93 -136.42 13.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.419 1.074 . . . . 0.0 110.985 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.486 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . 59.48 -174.77 3.72 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.809 HG13 ' N ' ' A' ' 39' ' ' ASP . 0.5 OUTLIER 41.17 -157.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.748 . . . . 0.0 109.319 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.809 ' N ' HG13 ' A' ' 38' ' ' VAL . 11.7 t0 -70.83 57.99 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 54.7 p -95.44 160.43 30.57 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.96 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.2 Cg_endo -74.98 -4.73 15.84 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.476 1.777 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.923 HG22 ' HG3' ' A' ' 44' ' ' LYS . 2.4 p -89.46 -40.09 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.1 5.4 89.04 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.132 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.923 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -155.93 171.96 19.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.9 t -93.96 142.88 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.426 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 13.2 m -146.12 -167.09 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.4 t -106.22 135.65 43.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.408 ' HA ' ' OE1' ' A' ' 35' ' ' GLU . 29.6 t -94.14 -46.02 7.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.016 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.93 148.82 6.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.74 HG23 ' HB3' ' A' ' 56' ' ' ALA . 1.2 p -120.88 91.37 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.249 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -49.46 116.19 1.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -41.8 -30.75 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.337 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.91 54.75 4.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.499 1.124 . . . . 0.0 111.047 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -147.32 -165.59 11.91 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.608 ' CB ' ' CH2' ' A' ' 92' ' ' TRP . . . -90.72 -48.56 6.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.74 ' HB3' HG23 ' A' ' 50' ' ' VAL . . . -42.05 -45.69 3.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.401 ' CD ' ' C ' ' A' ' 57' ' ' GLU . 10.1 tm-20 -53.08 -56.59 15.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -43.09 -42.23 3.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.554 ' CE1' ' HB3' ' A' ' 22' ' ' LEU . 14.7 t60 -61.88 -65.68 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.608 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.93 -52.79 1.43 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -44.11 -47.67 8.12 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.566 HG23 HD12 ' A' ' 22' ' ' LEU . 2.7 t -89.03 128.1 41.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.5 m -135.55 -168.31 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.09 153.5 38.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.06 40.17 96.83 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.663 ' HB3' HG21 ' A' ' 103' ' ' VAL . 0.5 OUTLIER -88.45 172.63 9.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 109.26 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.595 ' C ' HG23 ' A' ' 103' ' ' VAL . 0.3 OUTLIER -100.94 58.64 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.685 HD13 ' HB ' ' A' ' 103' ' ' VAL . 2.1 mm -62.12 142.86 15.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.812 ' O ' HG22 ' A' ' 76' ' ' VAL . 37.7 mtm -142.31 -45.69 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.601 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -131.23 145.38 51.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.854 HD13 ' HB2' ' A' ' 88' ' ' LEU . 40.6 mt -118.76 107.2 21.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 67.12 18.89 10.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 112.7 -42.98 1.81 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.564 1.165 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER -53.47 130.42 35.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 0.751 . . . . 0.0 109.297 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.523 HG23 HG23 ' A' ' 77' ' ' THR . 6.9 mt -75.11 126.2 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.812 HG22 ' O ' ' A' ' 69' ' ' MET . 12.1 m -123.58 15.71 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.523 HG23 HG23 ' A' ' 75' ' ' ILE . 33.4 p -60.1 -22.28 62.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -131.81 31.18 4.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.441 ' HB2' ' CA ' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -95.09 148.21 22.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.548 HG22 HG23 ' A' ' 38' ' ' VAL . 6.7 p -88.79 156.86 18.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.398 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.967 HD21 ' HA ' ' A' ' 35' ' ' GLU . 4.8 mt -40.13 -64.16 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.64 -59.49 3.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -43.76 -69.39 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 110.334 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -52.67 -65.39 0.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 84' ' ' ALA . 5.1 mt-10 -36.85 -50.1 0.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.321 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.2 -52.1 38.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.24 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -45.35 -68.93 0.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.854 ' HB2' HD13 ' A' ' 71' ' ' ILE . 35.1 tp -42.49 -62.76 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 90' ' ' LYS . 15.9 mm100 -47.52 -66.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 89' ' ' GLN . 2.1 mmtm -36.91 -42.07 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' A' ' 88' ' ' LEU . . . -59.77 -57.35 13.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.746 ' CE3' HD13 ' A' ' 30' ' ' LEU . 13.6 t-105 -60.56 -44.44 96.16 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 94' ' ' GLN . 3.5 m120 -47.59 -44.08 26.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 93' ' ' ASN . 15.2 mt-30 -36.68 -51.75 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.59 22.98 8.6 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -59.62 -175.24 0.89 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -89.5 -43.83 10.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 0.78 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -142.27 168.43 19.75 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.526 HG21 ' CE3' ' A' ' 92' ' ' TRP . 4.5 tt -137.66 143.14 34.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.647 ' CG ' HD11 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -106.34 129.66 54.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.075 . . . . 0.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.695 HD12 ' CD1' ' A' ' 24' ' ' ILE . 56.2 mt -120.16 113.85 21.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.601 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 78.0 t -82.19 105.26 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.685 ' HB ' HD13 ' A' ' 68' ' ' ILE . 2.1 p -145.3 140.38 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.62 ' HB1' ' O ' ' A' ' 18' ' ' ASP . . . -85.04 148.63 26.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.629 HG12 ' HB3' ' A' ' 18' ' ' ASP . 10.3 p . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.7 p -128.43 -48.25 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 0.0 110.434 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -49.67 -51.43 38.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.416 ' CZ ' ' HB2' ' A' ' 70' ' ' ALA . 58.6 m-85 -64.63 166.95 7.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.38 161.14 65.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -19.3 17.89 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.67 17.93 20.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 110.335 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -117.73 -54.09 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.4 pt -66.17 -40.63 87.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.17 125.08 8.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.06 -47.91 1.47 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.458 1.099 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -66.51 -179.4 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.78 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -134.15 85.88 2.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 70.5 t -88.88 140.3 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.58 ' CZ ' HG21 ' A' ' 105' ' ' VAL . 0.7 OUTLIER -137.83 132.85 33.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.789 HD11 ' CG ' ' A' ' 100' ' ' ASP . 23.1 tp -98.1 122.17 40.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.5 mt -111.3 149.53 30.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.573 ' HD2' ' CE3' ' A' ' 98' ' ' TRP . 22.3 ttp180 -116.79 108.79 16.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.517 HG12 ' CG ' ' A' ' 59' ' ' HIS . 81.6 mt -100.81 138.39 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -74.06 142.95 45.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.566 1.166 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.582 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -91.06 79.11 5.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 3.9 tp10 -135.67 137.51 41.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 52.3 66.61 2.52 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 p 44.33 -167.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 0.755 . . . . 0.0 109.978 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.771 HD21 HD21 ' A' ' 88' ' ' LEU . 42.7 tp -104.9 -63.01 1.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 60.13 81.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.613 ' CD1' HG22 ' A' ' 50' ' ' VAL . 15.4 tp -142.1 134.34 27.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.78 132.69 39.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.544 HD23 ' HA ' ' A' ' 47' ' ' VAL . 18.8 mt -121.22 156.49 32.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.808 ' HA ' HD21 ' A' ' 81' ' ' LEU . 19.4 pt-20 -156.49 144.03 19.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.536 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . 114.12 -156.84 15.36 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.471 1.107 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.51 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . 70.71 -168.36 49.52 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.795 HG13 ' N ' ' A' ' 39' ' ' ASP . 2.7 p 33.27 -146.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 0.725 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.795 ' N ' HG13 ' A' ' 38' ' ' VAL . 1.9 t0 -80.32 50.34 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 96.6 p -88.13 159.91 47.1 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.975 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.434 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.3 Cg_endo -75.02 5.35 4.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.566 HG22 ' HG3' ' A' ' 44' ' ' LYS . 1.7 p -108.52 -49.23 7.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.07 1.78 66.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.566 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -145.95 178.05 8.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.2 t -100.0 121.71 51.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.2 m -132.72 135.31 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.544 ' HA ' HD23 ' A' ' 34' ' ' LEU . 43.7 t -57.51 129.24 19.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.493 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 4.4 t -83.38 -44.21 15.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.038 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.59 147.52 6.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.31 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.613 HG22 ' CD1' ' A' ' 32' ' ' LEU . 38.6 t -105.86 90.19 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -47.21 108.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.457 ' HA ' ' CB ' ' A' ' 57' ' ' GLU . 4.8 pt-20 -50.78 -24.15 3.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.49 45.61 2.57 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -145.25 -165.31 11.16 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.526 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -91.31 -32.94 15.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 0.777 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.533 ' CB ' HD13 ' A' ' 32' ' ' LEU . . . -50.62 -58.19 6.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.457 ' CB ' ' HA ' ' A' ' 52' ' ' GLU . 5.9 tp10 -58.63 -45.44 89.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.349 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.19 -54.96 7.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.343 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.517 ' CG ' HG12 ' A' ' 24' ' ' ILE . 16.6 t-80 -48.04 -65.7 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.575 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.77 129.98 1.43 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.459 1.099 . . . . 0.0 111.034 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 163.7 -64.91 0.24 Allowed Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.3 p -122.38 143.73 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.567 0.804 . . . . 0.0 109.267 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.2 m -100.11 -169.19 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.493 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.2 OUTLIER -61.65 159.79 12.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.81 -18.17 57.98 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.851 ' HB2' HG21 ' A' ' 103' ' ' VAL . 10.3 p-10 -42.03 161.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.822 ' C ' HG23 ' A' ' 103' ' ' VAL . 1.8 mt-10 -104.06 79.47 1.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.477 HD11 ' OD2' ' A' ' 66' ' ' ASP . 2.8 mm -63.26 143.06 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.704 ' O ' HG22 ' A' ' 76' ' ' VAL . 8.6 mtm -143.25 -50.9 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.548 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -128.33 134.13 48.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.588 1.18 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.824 HG22 ' OD1' ' A' ' 72' ' ' ASN . 75.0 mt -106.16 107.66 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.824 ' OD1' HG22 ' A' ' 71' ' ' ILE . 1.8 m120 75.59 -52.83 0.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -168.62 -39.98 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.14 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.13 152.9 15.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.544 HG23 HG23 ' A' ' 77' ' ' THR . 4.4 mt -91.32 125.56 44.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.704 HG22 ' O ' ' A' ' 69' ' ' MET . 12.7 m -123.73 16.93 4.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.544 HG23 HG23 ' A' ' 75' ' ' ILE . 42.5 p -56.35 -37.69 70.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 110.393 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -119.1 36.67 4.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.528 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -96.05 155.17 16.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.981 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 81' ' ' LEU . 16.7 p -92.01 155.6 17.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.416 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.808 HD21 ' HA ' ' A' ' 35' ' ' GLU . 3.4 mt -39.64 -64.09 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.65 -62.95 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.346 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.528 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 13.5 mt-10 -40.21 -68.7 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -53.61 -65.08 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 84' ' ' ALA . 4.7 mt-10 -36.92 -60.01 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 87' ' ' ALA . . . -60.65 -60.24 4.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 86' ' ' ALA . . . -39.46 -59.03 1.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.771 HD21 HD21 ' A' ' 30' ' ' LEU . 13.4 tp -47.98 -55.83 9.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 92' ' ' TRP . 3.3 mt-30 -48.29 -61.54 1.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 93' ' ' ASN . 31.1 mttt -39.87 -63.66 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.705 ' HB1' HD21 ' A' ' 72' ' ' ASN . . . -39.82 -41.39 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.582 ' CZ3' HD13 ' A' ' 30' ' ' LEU . 20.2 t-105 -70.65 -50.13 39.97 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 90' ' ' LYS . 7.6 m120 -54.96 -44.14 74.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.243 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 93' ' ' ASN . 11.4 mt-30 -37.35 -36.76 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 96' ' ' GLY . . . 119.16 -95.74 0.62 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 95' ' ' GLY . . . 50.15 175.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -98.28 -44.67 6.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.573 ' CE3' ' HD2' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -142.22 141.06 32.5 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.549 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 13.7 tt -96.25 161.92 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.152 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.789 ' CG ' HD11 ' A' ' 21' ' ' LEU . 3.1 m-20 -117.46 140.54 49.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.491 HD12 HD12 ' A' ' 24' ' ' ILE . 64.9 mt -128.8 121.69 28.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.548 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 41.7 t -102.19 98.39 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.851 HG21 ' HB2' ' A' ' 66' ' ' ASP . 1.4 p -136.38 147.35 27.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.42 ' O ' HG22 ' A' ' 103' ' ' VAL . . . -72.12 164.48 26.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.58 HG21 ' CZ ' ' A' ' 20' ' ' ARG . 88.7 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.15 -63.46 1.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.82 162.59 13.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.43 -136.19 2.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.16 129.23 34.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 0.771 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -172.03 73.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.1 t -172.98 -44.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.379 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.78 -37.71 6.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -77.08 179.91 5.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.66 163.59 25.55 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -21.19 16.16 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.52 1.8 . . . . 0.0 111.04 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.53 11.85 38.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.348 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -111.34 -44.54 3.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.3 pt -78.74 -55.36 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.355 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 57.1 68.93 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 42.58 34.82 1.84 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.53 1.144 . . . . 0.0 110.954 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.15 172.46 2.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 0.784 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -115.25 86.07 2.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.418 ' HA ' ' HA ' ' A' ' 104' ' ' ALA . 0.1 OUTLIER -111.16 153.34 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.418 1.073 . . . . 0.0 109.285 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.424 ' HG3' HG23 ' A' ' 105' ' ' VAL . 0.5 OUTLIER -131.48 171.4 13.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.259 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.73 HD11 ' HB3' ' A' ' 100' ' ' ASP . 14.8 tp -123.7 96.88 5.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.433 HD11 ' CG1' ' A' ' 62' ' ' VAL . 25.0 mt -89.13 140.67 29.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.86 117.97 31.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.553 HD12 HD12 ' A' ' 101' ' ' LEU . 96.5 mt -105.24 141.95 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.406 ' O ' ' CH2' ' A' ' 92' ' ' TRP . 5.9 ttpp -76.97 138.77 39.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.574 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 41.8 mttt -84.21 60.09 5.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -134.8 127.45 30.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.341 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.1 34.17 15.56 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.529 ' O ' ' CZ2' ' A' ' 92' ' ' TRP . 4.9 p 63.01 -177.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 109.996 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.522 ' HB2' ' CD2' ' A' ' 92' ' ' TRP . 26.0 tp -94.86 -67.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 58.33 81.56 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.446 HD13 ' CB ' ' A' ' 56' ' ' ALA . 15.9 tp -145.25 146.19 31.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -115.83 142.0 47.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.511 HD23 ' HA ' ' A' ' 47' ' ' VAL . 30.1 mt -126.6 156.99 40.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.814 ' HA ' HD21 ' A' ' 81' ' ' LEU . 10.5 pt-20 -156.12 140.29 16.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.12 -143.69 18.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 38' ' ' VAL . . . 60.38 -161.59 20.81 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.792 HG13 ' N ' ' A' ' 39' ' ' ASP . 1.6 p 35.14 -150.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.792 ' N ' HG13 ' A' ' 38' ' ' VAL . 4.6 m-20 -88.45 51.22 2.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.6 170.67 8.18 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -6.74 18.44 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.497 1.788 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.819 HG12 ' HG2' ' A' ' 44' ' ' LYS . 72.3 t -87.68 -58.31 3.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.35 19.45 58.68 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.819 ' HG2' HG12 ' A' ' 42' ' ' VAL . 23.0 pttt -163.7 177.65 8.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.776 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 32.6 t -102.14 118.18 48.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 35' ' ' GLU . 29.6 m -131.15 135.03 60.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.511 ' HA ' HD23 ' A' ' 34' ' ' LEU . 42.6 t -58.12 116.48 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.423 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 13.1 t -66.87 -47.71 71.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.55 149.61 6.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 86.1 t -105.71 93.14 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.3 m-30 -44.88 117.73 1.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.85 -21.22 63.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -104.09 54.12 0.67 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.445 1.091 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -153.38 -179.26 28.7 Favored Glycine 0 CA--C 1.529 0.947 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.576 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -78.68 -18.53 54.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 0.76 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.446 ' CB ' HD13 ' A' ' 32' ' ' LEU . . . -64.29 -55.22 22.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 58' ' ' ARG . 12.8 tm-20 -58.09 -50.69 72.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 57' ' ' GLU . 3.1 mtt-85 -37.72 -53.14 1.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.408 ' CB ' HG12 ' A' ' 24' ' ' ILE . 70.6 t60 -57.48 -65.81 0.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.588 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.34 -147.81 19.74 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.12 -80.39 1.11 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.433 ' CG1' HD11 ' A' ' 22' ' ' LEU . 11.9 m -88.52 156.17 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 0.744 . . . . 0.0 109.363 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.406 ' O ' ' CG ' ' A' ' 66' ' ' ASP . 3.9 m -140.34 179.05 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.423 ' CD ' ' O ' ' A' ' 48' ' ' SER . 5.1 ttpp -45.52 152.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.15 -1.33 77.02 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.757 ' HB3' HG21 ' A' ' 103' ' ' VAL . 68.3 m-20 -60.15 178.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.853 ' C ' HG23 ' A' ' 103' ' ' VAL . 0.8 OUTLIER -123.01 79.12 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.311 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.814 HD13 ' HB ' ' A' ' 103' ' ' VAL . 4.8 mm -67.61 140.46 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.818 ' O ' HG22 ' A' ' 76' ' ' VAL . 44.5 mtm -139.65 -46.15 0.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.742 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -127.24 144.18 51.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.605 HD12 HG11 ' A' ' 76' ' ' VAL . 41.0 mt -124.88 110.51 25.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.21 18.07 5.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.96 45.3 2.89 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.75 ' O ' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -135.99 101.89 4.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 0.758 . . . . 0.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.493 HG23 HG23 ' A' ' 77' ' ' THR . 6.6 mt -52.14 117.75 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.818 HG22 ' O ' ' A' ' 69' ' ' MET . 35.3 m -123.55 21.09 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.493 HG23 HG23 ' A' ' 75' ' ' ILE . 28.2 p -63.03 -23.22 67.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.401 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.07 26.98 6.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.563 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.3 OUTLIER -96.31 151.64 19.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.718 HG22 HG23 ' A' ' 38' ' ' VAL . 1.9 p -91.15 157.15 17.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.367 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.814 HD21 ' HA ' ' A' ' 35' ' ' GLU . 3.5 mt -39.64 -63.89 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -48.08 -65.16 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.563 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 34.6 mt-10 -38.89 -68.94 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -52.59 -66.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 84' ' ' ALA . 6.8 mt-10 -37.11 -61.84 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.09 -55.78 30.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.87 -68.66 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.442 ' HB2' HD13 ' A' ' 71' ' ' ILE . 6.7 tp -41.25 -51.02 3.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 90' ' ' LYS . 0.2 OUTLIER -50.89 -58.72 5.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 89' ' ' GLN . 8.7 mttm -38.49 -53.7 1.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 88' ' ' LEU . . . -47.4 -68.78 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.592 ' CZ3' HG21 ' A' ' 99' ' ' ILE . 5.3 t-105 -50.38 -49.84 53.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 108.019 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 94' ' ' GLN . 1.3 m120 -44.35 -50.58 9.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 93' ' ' ASN . 22.1 mt-30 -35.21 -43.02 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 110.346 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 96.98 31.58 6.88 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.467 ' CA ' ' HD3' ' A' ' 26' ' ' LYS . . . -64.07 -171.28 2.18 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -97.21 -44.55 6.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 0.751 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -142.35 162.73 34.73 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.592 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 1.9 tt -131.27 129.42 62.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.73 ' HB3' HD11 ' A' ' 21' ' ' LEU . 2.9 m-20 -96.91 108.9 21.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.553 HD12 HD12 ' A' ' 24' ' ' ILE . 95.2 mt -96.74 125.15 40.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.742 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 19.1 t -100.67 100.72 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.853 HG23 ' C ' ' A' ' 67' ' ' GLU . 1.3 p -134.83 140.84 44.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.418 ' HA ' ' HA ' ' A' ' 19' ' ' VAL . . . -71.88 168.96 16.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.424 HG23 ' HG3' ' A' ' 20' ' ' ARG . 41.4 t -90.59 151.28 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 43.1 t -178.54 117.78 0.24 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 108.282 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 18.4 Cg_endo -74.97 153.44 41.93 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.503 1.791 . . . . 0.0 111.045 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.4 Cg_endo -74.93 111.5 3.34 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.531 1.806 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -133.62 -51.95 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 66.02 111.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -177.81 95.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -156.04 110.26 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -166.29 110.81 0.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -165.58 74.09 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 179.93 120.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.2 t -65.75 -10.11 34.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.44 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 50.27 74.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.979 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.7 p -72.75 166.83 22.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 0.763 . . . . 0.0 110.024 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -109.28 145.46 35.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.93 -125.03 4.14 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.112 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -127.61 -164.58 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 0.787 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 49.75 59.6 4.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.442 HG23 ' N ' ' A' ' 8' ' ' MET . 2.1 t -167.75 -52.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 110.413 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.442 ' N ' HG23 ' A' ' 7' ' ' THR . 1.2 mpp? -51.53 -34.66 37.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -76.85 163.08 27.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 0.0 111.042 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.88 167.96 28.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.02 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -34.01 4.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.461 1.769 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -89.26 19.69 4.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -117.27 -52.46 2.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.423 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 4.5 pt -76.8 -57.89 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.411 ' N ' ' CG1' ' A' ' 14' ' ' ILE . . . 62.93 -128.81 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.02 28.39 12.95 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 7.1 mttp -69.44 168.01 15.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.763 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -128.27 89.46 2.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 103' ' ' VAL . 1.0 OUTLIER -117.09 149.78 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.488 ' HG3' HG23 ' A' ' 105' ' ' VAL . 2.1 mtt180 -129.46 176.43 7.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 22' ' ' LEU . 3.4 tp -123.26 121.55 36.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.432 ' N ' HD12 ' A' ' 21' ' ' LEU . 19.7 mt -111.38 122.15 47.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.604 ' NH2' ' CH2' ' A' ' 98' ' ' TRP . 0.0 OUTLIER -93.88 125.31 38.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 110.324 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.79 HD12 HD12 ' A' ' 101' ' ' LEU . 59.7 mt -109.5 155.59 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.77 149.51 21.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.563 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 11.2 mttt -101.39 83.96 2.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -123.91 131.28 53.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.17 -80.03 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.485 1.116 . . . . 0.0 111.055 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -158.69 175.88 13.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 0.742 . . . . 0.0 110.001 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.841 HD21 HD21 ' A' ' 88' ' ' LEU . 26.6 tp -101.26 -38.16 8.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 41.37 64.9 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.747 HD11 ' CG1' ' A' ' 47' ' ' VAL . 47.1 tp -124.53 141.64 51.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.44 ' O ' HD23 ' A' ' 34' ' ' LEU . . . -107.47 148.46 29.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.697 HD23 ' HA ' ' A' ' 47' ' ' VAL . 46.2 mt -130.43 157.46 42.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.914 ' HA ' HD21 ' A' ' 81' ' ' LEU . 21.2 pt-20 -155.9 152.87 28.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.93 -144.65 16.72 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.474 ' O ' ' C ' ' A' ' 38' ' ' VAL . . . 64.4 -161.72 38.08 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.797 HG13 ' N ' ' A' ' 39' ' ' ASP . 1.9 p 34.72 -149.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 109.347 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.797 ' N ' HG13 ' A' ' 38' ' ' VAL . 5.7 m-20 -89.64 50.98 1.99 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.475 ' CB ' ' CD ' ' A' ' 41' ' ' PRO . 0.9 OUTLIER -93.96 176.92 2.14 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 109.992 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 40' ' ' SER . 18.2 Cg_endo -75.06 -20.83 16.37 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.539 1.81 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.76 HG12 ' HG2' ' A' ' 44' ' ' LYS . 54.0 t -73.57 -66.39 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.79 25.77 19.19 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.76 ' HG2' HG12 ' A' ' 42' ' ' VAL . 18.5 pttt -171.23 176.09 4.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.5 t -99.63 116.82 43.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.4 m -135.91 133.77 50.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.747 ' CG1' HD11 ' A' ' 32' ' ' LEU . 74.8 t -58.92 117.2 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.502 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 44.0 t -70.49 -47.77 58.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.64 132.79 2.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 109.256 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.588 HG23 ' HB3' ' A' ' 56' ' ' ALA . 2.6 p -103.39 99.05 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -52.6 121.06 6.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -50.39 -23.06 2.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.31 49.33 3.22 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -145.95 177.46 24.31 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.537 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -75.47 -40.83 56.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.736 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.588 ' HB3' HG23 ' A' ' 50' ' ' VAL . . . -41.95 -59.98 1.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -54.62 -42.57 71.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.39 -49.6 44.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.278 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.448 ' NE2' ' O ' ' A' ' 23' ' ' ARG . 49.6 t-80 -50.31 -63.79 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.602 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.18 79.27 1.27 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.54 1.15 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -179.86 -56.89 0.08 OUTLIER Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.597 HG11 HD11 ' A' ' 24' ' ' ILE . 7.3 p -91.38 119.65 39.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 0.746 . . . . 0.0 109.35 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.9 m -123.78 -161.17 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.502 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.5 OUTLIER -74.98 138.48 42.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 104.86 -21.76 35.39 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.467 1.105 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.925 ' HB3' HG11 ' A' ' 103' ' ' VAL . 0.5 OUTLIER -52.32 130.8 31.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 109.266 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.777 ' O ' HG13 ' A' ' 103' ' ' VAL . 2.2 mt-10 -78.24 98.87 6.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.719 HD13 HG22 ' A' ' 103' ' ' VAL . 4.7 mm -77.68 136.47 24.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.546 ' O ' HG22 ' A' ' 76' ' ' VAL . 17.2 mtm -131.92 -46.32 0.94 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.097 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.566 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -130.04 146.65 51.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.671 HD13 ' HB2' ' A' ' 88' ' ' LEU . 37.5 mt -125.29 107.99 19.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 63.22 15.08 8.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 120.19 -52.71 0.71 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.24 136.15 25.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 0.748 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.707 HG23 HG23 ' A' ' 77' ' ' THR . 48.5 mt -78.35 133.38 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.546 HG22 ' O ' ' A' ' 69' ' ' MET . 15.2 m -123.36 22.93 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.707 HG23 HG23 ' A' ' 75' ' ' ILE . 28.9 p -59.36 -55.06 39.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.104 . . . . 0.0 110.404 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -103.04 35.58 2.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.443 ' CG ' ' HA ' ' A' ' 76' ' ' VAL . 0.3 OUTLIER -96.21 147.14 24.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.118 . . . . 0.0 110.999 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.654 HG22 HG23 ' A' ' 38' ' ' VAL . 2.6 p -89.61 157.05 18.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.434 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.914 HD21 ' HA ' ' A' ' 35' ' ' GLU . 3.6 mt -40.79 -63.03 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.75 -57.88 5.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.67 -68.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -54.46 -64.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 84' ' ' ALA . 11.0 mt-10 -37.47 -56.13 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 87' ' ' ALA . . . -63.16 -59.22 5.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 86' ' ' ALA . . . -40.29 -67.12 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.841 HD21 HD21 ' A' ' 30' ' ' LEU . 39.4 tp -40.84 -60.05 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.404 ' OE1' ' HA ' ' A' ' 89' ' ' GLN . 13.0 mm-40 -48.95 -58.93 4.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 93' ' ' ASN . 20.4 mttt -41.16 -65.58 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -42.07 -44.21 3.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.757 ' CZ3' HD13 ' A' ' 30' ' ' LEU . 10.8 t-105 -65.29 -47.03 78.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 107.98 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 90' ' ' LYS . 14.4 m120 -59.0 -46.2 88.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 93' ' ' ASN . 14.5 mt-30 -37.13 -54.74 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 96' ' ' GLY . . . 142.3 -99.58 0.24 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.544 1.153 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 95' ' ' GLY . . . 52.2 172.81 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -97.78 -43.9 6.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 0.734 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.604 ' CH2' ' NH2' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -141.39 156.09 45.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 108.026 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 24' ' ' ILE . 1.9 tt -112.11 156.64 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -109.62 134.06 52.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.79 HD12 HD12 ' A' ' 24' ' ' ILE . 58.4 mt -131.83 117.08 18.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.566 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 86.7 t -99.13 98.35 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.925 HG11 ' HB3' ' A' ' 66' ' ' ASP . 41.8 t -114.64 147.97 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.81 147.59 29.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.488 HG23 ' HG3' ' A' ' 20' ' ' ARG . 36.3 t -68.76 153.1 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 42.2 t -148.5 120.03 4.36 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 108.293 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 161.82 38.15 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.526 1.803 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 110.93 3.21 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.493 1.786 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -132.05 -52.98 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 65.45 116.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.331 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -177.86 118.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -160.05 -52.67 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 45.17 91.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -157.23 87.28 0.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.255 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.424 HD23 ' H ' ' A' ' 116' ' ' THR . 1.4 tp -118.07 -108.32 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.424 ' H ' HD23 ' A' ' 115' ' ' LEU . 11.0 t -160.78 127.45 4.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.38 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -37.69 -39.43 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 111.06 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 8.3 p90 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.954 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t -89.78 89.45 7.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 110.004 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 64.78 70.82 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.281 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.85 147.2 5.96 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.789 ' O ' HG23 ' A' ' 7' ' ' THR . . . -56.41 -67.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.408 ' O ' HD12 ' A' ' 14' ' ' ILE . . . 55.01 23.97 5.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.404 1.065 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.789 HG23 ' O ' ' A' ' 5' ' ' ALA . 33.5 p -113.79 -54.8 2.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 110.37 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.4 mtm -41.63 -52.96 3.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.443 ' CE1' ' HB3' ' A' ' 69' ' ' MET . 36.4 m-85 -69.31 158.96 34.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.03 160.7 10.68 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.983 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -10.84 21.36 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.36 -2.26 16.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -103.88 7.59 36.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.254 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 17' ' ' LYS . 2.6 pt -131.48 -45.26 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 14' ' ' ILE . . . -39.76 108.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.26 -47.41 1.09 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.13 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 14' ' ' ILE . 0.6 OUTLIER -48.76 145.98 3.44 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 0.766 . . . . 0.0 109.25 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' A' ' 104' ' ' ALA . 61.9 m-20 -102.2 86.13 2.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.7 t -97.31 133.68 38.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.493 ' HG3' HG23 ' A' ' 105' ' ' VAL . 0.2 OUTLIER -130.02 122.08 27.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.286 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.623 HD11 ' OD2' ' A' ' 100' ' ' ASP . 9.1 tp -81.91 107.19 14.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.4 mt -97.71 153.15 18.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -126.17 101.65 6.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.266 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.756 HD12 HD12 ' A' ' 101' ' ' LEU . 26.4 mt -85.3 137.92 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.1 145.5 37.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.572 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 3.3 mttp -95.87 85.51 4.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.1 OUTLIER -127.31 136.44 51.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.12 -79.95 0.04 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 27' ' ' GLU . 1.1 p -158.34 -170.04 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.79 . . . . 0.0 109.946 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.79 HD13 ' CE3' ' A' ' 92' ' ' TRP . 48.3 tp -96.95 -61.11 1.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.465 ' OD1' ' CD2' ' A' ' 51' ' ' TYR . 2.0 t0 51.68 83.9 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.734 ' CD1' HG22 ' A' ' 50' ' ' VAL . 20.3 tp -149.46 154.33 38.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -121.21 148.03 44.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.502 HD23 ' HA ' ' A' ' 47' ' ' VAL . 62.0 mt -130.33 156.03 45.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.844 ' HA ' HD21 ' A' ' 81' ' ' LEU . 19.7 pt-20 -155.54 145.57 21.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.253 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.69 -147.57 18.65 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.479 ' O ' ' C ' ' A' ' 38' ' ' VAL . . . 63.05 -156.99 40.28 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.8 HG13 ' N ' ' A' ' 39' ' ' ASP . 2.1 p 34.13 -148.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.8 ' N ' HG13 ' A' ' 38' ' ' VAL . 6.4 m-20 -88.17 51.31 2.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 p -89.77 166.32 21.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -6.46 18.1 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.8 HG12 ' HG3' ' A' ' 44' ' ' LYS . 25.1 t -91.38 -58.96 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.31 29.43 27.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.8 ' HG3' HG12 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -166.93 173.18 9.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.777 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.8 t -96.52 128.01 48.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 35' ' ' GLU . 17.2 m -139.57 134.77 39.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.502 ' HA ' HD23 ' A' ' 34' ' ' LEU . 93.1 t -58.04 118.14 2.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.496 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 28.8 t -72.48 -49.27 34.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.986 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.99 145.72 5.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.734 HG22 ' CD1' ' A' ' 32' ' ' LEU . 51.9 t -102.68 89.68 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.465 ' CD2' ' OD1' ' A' ' 31' ' ' ASP . 15.6 m-85 -45.41 121.62 3.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.048 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -64.91 147.78 52.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.39 -40.95 2.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -59.62 -172.33 0.57 Allowed Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.633 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -81.14 -40.83 23.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.79 -54.56 11.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.98 -46.66 88.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -54.95 24.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.495 ' CG ' HG12 ' A' ' 24' ' ' ILE . 22.8 t-80 -41.09 -64.66 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.634 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.46 49.35 5.51 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -124.06 -63.54 0.19 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.474 HG23 ' OD2' ' A' ' 66' ' ' ASP . 9.9 p -95.9 140.43 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.776 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.5 m -116.31 -164.7 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.496 ' CD ' ' O ' ' A' ' 48' ' ' SER . 1.6 ttpp -84.68 152.35 23.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 67.85 42.54 86.05 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.736 ' HB3' HG21 ' A' ' 103' ' ' VAL . 0.4 OUTLIER -93.93 -174.06 3.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.987 ' C ' HG23 ' A' ' 103' ' ' VAL . 5.9 mt-10 -114.91 73.84 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.879 HD13 ' HB ' ' A' ' 103' ' ' VAL . 6.7 mm -72.56 148.03 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.827 ' O ' HG22 ' A' ' 76' ' ' VAL . 78.3 mtp -145.16 -46.89 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.634 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -129.32 141.16 51.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.584 HD13 ' HB2' ' A' ' 88' ' ' LEU . 73.6 mt -119.12 121.21 66.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 43.41 27.53 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.425 ' N ' ' C ' ' A' ' 71' ' ' ILE . . . 88.18 39.01 7.04 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.517 1.136 . . . . 0.0 111.038 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.776 ' O ' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -131.58 95.73 3.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.633 HG23 HG23 ' A' ' 77' ' ' THR . 30.6 mt -44.08 125.41 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.827 HG22 ' O ' ' A' ' 69' ' ' MET . 27.0 m -122.88 20.56 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.633 HG23 HG23 ' A' ' 75' ' ' ILE . 62.3 p -56.61 -67.78 0.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.373 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -94.92 42.45 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.448 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.3 OUTLIER -104.56 148.51 26.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.54 HG22 HG23 ' A' ' 38' ' ' VAL . 3.3 p -93.74 158.73 15.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.449 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.844 HD21 ' HA ' ' A' ' 35' ' ' GLU . 4.1 mt -39.94 -62.56 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -45.47 -64.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.448 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -39.67 -69.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -52.96 -65.96 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 81' ' ' LEU . 7.4 mt-10 -36.48 -53.4 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 110.343 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 87' ' ' ALA . . . -64.91 -58.65 5.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 86' ' ' ALA . . . -40.19 -66.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.169 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.584 ' HB2' HD13 ' A' ' 71' ' ' ILE . 32.7 tp -40.8 -61.05 1.02 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 92' ' ' TRP . 7.2 mm100 -48.96 -62.61 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 89' ' ' GLN . 33.8 mttt -39.17 -45.73 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 88' ' ' LEU . . . -55.5 -51.56 66.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.79 ' CE3' HD13 ' A' ' 30' ' ' LEU . 8.1 t-105 -63.86 -46.25 85.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 108.018 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 94' ' ' GLN . 3.9 m120 -46.43 -43.6 16.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 93' ' ' ASN . 19.2 mt-30 -35.72 -52.2 0.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 97.48 62.64 0.9 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.449 1.093 . . . . 0.0 111.047 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -104.6 179.37 24.42 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -83.57 -43.86 15.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 0.777 . . . . 0.0 109.338 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -142.28 160.53 40.07 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.487 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 5.4 tt -128.39 153.63 38.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.71 ' O ' HD23 ' A' ' 101' ' ' LEU . 2.4 m-20 -110.31 148.22 32.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.756 HD12 HD12 ' A' ' 24' ' ' ILE . 36.9 mt -144.06 113.02 6.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.634 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 60.1 t -87.56 104.28 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.987 HG23 ' C ' ' A' ' 67' ' ' GLU . 2.2 p -144.98 141.28 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.73 ' HB3' ' HB2' ' A' ' 67' ' ' GLU . . . -63.61 177.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.493 HG23 ' HG3' ' A' ' 20' ' ' ARG . 38.8 t -91.8 153.82 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 179.13 117.17 0.21 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 108.314 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.426 ' HG2' ' CB ' ' A' ' 110' ' ' GLU . 18.1 Cg_endo -75.04 147.7 34.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.478 1.778 . . . . 0.0 110.957 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.436 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 18.2 Cg_endo -75.0 134.19 17.5 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.79 . . . . 0.0 110.957 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.436 ' CB ' ' O ' ' A' ' 108' ' ' PRO . 0.7 OUTLIER 83.26 6.89 0.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.426 ' CB ' ' HG2' ' A' ' 107' ' ' PRO . 1.1 mm-40 -108.96 35.75 3.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -130.99 157.88 41.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -149.58 166.1 30.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.264 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -88.41 151.06 22.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.753 ' O ' HG23 ' A' ' 116' ' ' THR . 0.4 OUTLIER -75.97 -37.63 58.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.646 HD23 ' O ' ' A' ' 115' ' ' LEU . 0.9 OUTLIER 49.78 44.56 24.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.753 HG23 ' O ' ' A' ' 114' ' ' GLU . 19.6 p -137.01 89.83 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.391 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 58.86 73.72 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 111.037 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 0.0 110.977 -179.931 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -91.23 147.57 22.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 109.993 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.605 ' O ' HD23 ' A' ' 21' ' ' LEU . 19.0 mt-10 -148.7 -55.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.328 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.416 ' O ' ' HB3' ' A' ' 5' ' ' ALA . . . -84.07 -57.36 2.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.549 1.156 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 4' ' ' GLY . . . 66.92 115.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -179.37 -46.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.1 t -61.17 -18.08 56.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.374 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.1 ttm -73.18 -23.9 60.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.506 ' CD1' ' HE1' ' A' ' 69' ' ' MET . 89.2 m-85 -102.6 155.92 17.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.67 153.33 52.52 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.0 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -13.91 21.3 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.484 1.781 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.79 16.49 26.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -117.5 -54.2 2.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.2 pt -66.34 -39.81 85.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.31 115.07 0.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.38 -47.26 1.06 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -75.19 176.08 7.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.44 ' HB3' HG12 ' A' ' 105' ' ' VAL . 82.8 m-20 -130.24 86.62 2.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.244 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.8 t -74.12 122.9 28.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 103' ' ' VAL . 11.4 mtt-85 -131.38 120.93 23.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.432 1.082 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.718 HD12 ' N ' ' A' ' 22' ' ' LEU . 4.4 tp -87.19 129.67 34.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.718 ' N ' HD12 ' A' ' 21' ' ' LEU . 12.4 mt -118.45 117.9 30.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.43 ' NH2' ' CD2' ' A' ' 98' ' ' TRP . 0.2 OUTLIER -85.9 124.38 32.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.817 HD12 HD12 ' A' ' 101' ' ' LEU . 51.2 mt -110.24 150.27 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -86.93 142.38 28.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.522 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 8.1 mttt -92.22 89.16 6.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.5 OUTLIER -128.08 138.78 52.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.2 -82.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.523 ' O ' ' CZ2' ' A' ' 92' ' ' TRP . 1.5 p -154.19 -164.31 1.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.765 . . . . 0.0 110.005 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.702 HD23 ' NE2' ' A' ' 89' ' ' GLN . 26.2 tp -104.37 -63.3 1.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 52.36 84.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.348 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.475 HD11 HG22 ' A' ' 50' ' ' VAL . 32.9 tp -146.07 134.36 21.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.82 139.04 39.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.443 ' C ' HD21 ' A' ' 81' ' ' LEU . 70.7 mt -122.39 167.0 13.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.757 ' HA ' HD21 ' A' ' 81' ' ' LEU . 8.9 pt-20 -156.02 153.11 28.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.432 ' HA2' ' CB ' ' A' ' 40' ' ' SER . . . 74.36 -152.83 45.51 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 111.045 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . 97.36 -64.02 0.95 Allowed Glycine 0 CA--C 1.531 1.062 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.749 HG13 ' N ' ' A' ' 39' ' ' ASP . 4.4 p -69.33 -143.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.567 0.804 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.749 ' N ' HG13 ' A' ' 38' ' ' VAL . 21.2 m-20 -83.03 50.12 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.517 ' CB ' ' CD ' ' A' ' 41' ' ' PRO . 0.5 OUTLIER -92.75 179.16 1.38 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.517 ' CD ' ' CB ' ' A' ' 40' ' ' SER . 18.2 Cg_endo -74.96 -7.35 19.11 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.541 1.811 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.0 t -93.27 -51.31 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.341 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.77 -30.91 5.84 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 37' ' ' GLY . 14.3 mtmt -113.04 -175.02 2.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.1 t -102.34 122.43 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 66' ' ' ASP . 23.2 m -136.66 134.99 49.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.59 HG11 ' CG2' ' A' ' 50' ' ' VAL . 52.6 t -58.42 133.0 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.7 t -89.75 -40.12 12.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -164.25 134.77 4.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.59 ' CG2' HG11 ' A' ' 47' ' ' VAL . 83.7 t -103.41 90.18 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -46.83 122.19 4.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.437 ' HA ' ' CB ' ' A' ' 57' ' ' GLU . 41.0 tt0 -56.85 -42.73 80.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.89 -13.0 60.87 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.73 161.0 45.72 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.622 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -75.55 -14.4 60.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.403 ' HA ' HD13 ' A' ' 24' ' ' ILE . . . -68.79 -45.83 70.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.437 ' CB ' ' HA ' ' A' ' 52' ' ' GLU . 4.6 tm-20 -68.48 -48.66 63.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.8 mtt-85 -41.72 -34.79 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -73.92 -63.13 1.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.604 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 107.94 -109.12 2.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.88 -89.13 0.07 OUTLIER Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.4 t -130.64 148.32 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.758 . . . . 0.0 109.35 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.4 m -86.33 -160.18 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.097 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.421 ' HB2' HG12 ' A' ' 47' ' ' VAL . 0.3 OUTLIER -67.83 161.49 26.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.19 -17.62 58.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.433 ' OD1' HG23 ' A' ' 47' ' ' VAL . 42.3 p-10 -51.29 160.55 0.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.4 ' CD ' ' HZ2' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -106.64 104.0 13.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.431 HD13 HG22 ' A' ' 103' ' ' VAL . 3.9 mm -79.51 153.07 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.248 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.646 ' C ' HG22 ' A' ' 76' ' ' VAL . 71.3 mtp -142.99 -46.84 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.527 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -135.94 139.17 43.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.815 HD13 ' HB2' ' A' ' 88' ' ' LEU . 69.3 mt -117.51 111.6 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.818 ' ND2' ' HB1' ' A' ' 91' ' ' ALA . 2.5 m120 58.41 27.99 16.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 105.82 -46.76 1.13 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.48 133.36 35.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 0.734 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.887 HG23 HG23 ' A' ' 77' ' ' THR . 10.8 mt -77.73 131.01 35.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.646 HG22 ' C ' ' A' ' 69' ' ' MET . 15.2 m -123.8 23.07 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.887 HG23 HG23 ' A' ' 75' ' ' ILE . 36.2 p -52.17 -58.96 5.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.375 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -107.75 38.66 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.535 ' CG ' ' HA ' ' A' ' 76' ' ' VAL . 0.3 OUTLIER -91.09 150.33 21.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.691 HG22 HG23 ' A' ' 38' ' ' VAL . 5.1 p -94.46 159.03 15.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.354 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.757 HD21 ' HA ' ' A' ' 35' ' ' GLU . 3.1 mt -41.33 -62.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.86 -63.93 0.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.456 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 2.3 mm-40 -40.02 -69.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.317 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -52.48 -66.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 84' ' ' ALA . 9.1 mt-10 -36.52 -57.27 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 87' ' ' ALA . . . -61.39 -62.59 1.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 86' ' ' ALA . . . -39.67 -64.81 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.815 ' HB2' HD13 ' A' ' 71' ' ' ILE . 5.8 tp -44.59 -60.34 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.702 ' NE2' HD23 ' A' ' 30' ' ' LEU . 40.5 mm-40 -49.94 -56.98 8.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -39.8 -56.52 1.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.818 ' HB1' ' ND2' ' A' ' 72' ' ' ASN . . . -47.28 -45.71 24.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.704 ' CZ3' HG21 ' A' ' 99' ' ' ILE . 7.2 t-105 -67.81 -48.96 64.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 108.01 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 94' ' ' GLN . 5.2 m-80 -52.58 -45.4 66.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 93' ' ' ASN . 15.3 mt-30 -38.18 -38.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.77 97.49 1.1 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.494 1.121 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -139.2 -178.08 16.12 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.551 ' HB3' ' CD2' ' A' ' 98' ' ' TRP . 56.7 m-20 -91.14 -45.22 8.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.551 ' CD2' ' HB3' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -136.02 161.23 36.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 108.021 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.704 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 6.5 tt -136.41 142.07 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -101.8 142.27 33.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.817 HD12 HD12 ' A' ' 24' ' ' ILE . 46.3 mt -137.81 115.02 10.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.527 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 77.8 t -84.2 115.69 26.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.431 HG22 HD13 ' A' ' 68' ' ' ILE . 2.6 t -139.0 158.31 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -95.72 133.41 39.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.44 HG12 ' HB3' ' A' ' 18' ' ' ASP . 11.6 p -72.26 154.03 7.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 8.5 t -141.36 131.64 13.04 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 108.278 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 172.2 16.82 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.485 1.782 . . . . 0.0 111.027 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 116.74 4.66 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 110.956 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -140.26 -54.98 0.53 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 40.09 41.07 0.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.334 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -161.49 95.84 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.035 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -123.86 166.07 16.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -133.23 -178.04 4.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.616 ' C ' HD13 ' A' ' 115' ' ' LEU . 26.1 mt-10 54.21 88.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.817 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -133.06 -110.17 0.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.543 ' H ' HD23 ' A' ' 115' ' ' LEU . 0.5 OUTLIER -138.29 -43.14 0.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.412 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.52 ' CD1' ' O ' ' A' ' 116' ' ' THR . 30.4 m-85 -147.93 105.39 3.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.547 ' C ' ' CD1' ' A' ' 118' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 54.15 95.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 0.791 . . . . 0.0 109.971 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -88.58 102.08 14.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.339 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.26 127.19 2.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -118.58 -161.51 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.476 ' O ' HG23 ' A' ' 7' ' ' THR . . . 62.84 45.72 5.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 6' ' ' ALA . 2.1 p -153.48 -47.96 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 110.397 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -44.37 -53.22 7.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -54.14 -167.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 111.04 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.3 159.29 59.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -11.24 21.44 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.499 1.789 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -106.94 11.2 30.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.268 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -112.49 -50.94 2.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.2 pt -69.22 -40.0 79.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.86 124.21 12.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.37 -34.24 4.06 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -68.99 155.2 40.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 0.786 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.42 85.69 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.4 m -98.11 162.11 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.495 ' HG3' HG23 ' A' ' 105' ' ' VAL . 33.6 mtt180 -131.61 123.98 28.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.566 HD11 ' OD1' ' A' ' 100' ' ' ASP . 5.7 tp -83.54 114.61 21.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.432 ' N ' HD12 ' A' ' 21' ' ' LEU . 9.1 mt -100.4 145.5 28.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.482 ' HD3' ' CG ' ' A' ' 98' ' ' TRP . 17.1 ttm105 -120.93 111.76 17.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.642 HD12 HD12 ' A' ' 101' ' ' LEU . 17.1 mt -96.9 148.73 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -90.69 145.39 24.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.571 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 3.1 mttt -88.79 89.74 8.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -130.83 126.85 37.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.25 -71.33 0.09 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.457 1.098 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 27' ' ' GLU . 3.6 m 177.29 147.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.777 . . . . 0.0 110.026 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.668 HD21 HD21 ' A' ' 88' ' ' LEU . 9.3 tp -64.41 -60.48 3.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 58.06 68.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.673 HD11 ' CG1' ' A' ' 47' ' ' VAL . 16.7 tp -124.95 149.43 47.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -113.68 151.98 31.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.715 HD23 ' HA ' ' A' ' 47' ' ' VAL . 71.7 mt -133.21 156.78 46.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.92 ' HA ' HD21 ' A' ' 81' ' ' LEU . 17.6 pt-20 -152.51 150.97 30.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.356 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 109.61 -146.16 16.91 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 38' ' ' VAL . . . 74.58 -166.67 54.83 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.696 HG13 HG22 ' A' ' 80' ' ' THR . 2.6 m 39.98 -162.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.568 0.805 . . . . 0.0 109.348 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -83.17 50.46 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.472 ' CB ' ' CD ' ' A' ' 41' ' ' PRO . 1.0 OUTLIER -85.04 176.51 3.62 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 40' ' ' SER . 18.3 Cg_endo -74.98 -10.49 21.26 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.482 1.78 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.781 HG12 ' HG2' ' A' ' 44' ' ' LYS . 68.8 t -88.36 -57.27 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.241 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.9 25.34 58.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.781 ' HG2' HG12 ' A' ' 42' ' ' VAL . 18.3 pttt -168.11 169.16 11.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.9 t -93.46 130.59 42.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.9 m -143.27 133.59 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.715 ' HA ' HD23 ' A' ' 34' ' ' LEU . 73.8 t -59.09 117.55 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.517 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 8.5 t -70.62 -48.11 56.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.991 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.64 145.56 5.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.601 HG23 ' HB3' ' A' ' 56' ' ' ALA . 4.1 p -114.8 93.14 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.358 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -47.55 114.36 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.956 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -48.73 -23.25 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.265 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.03 43.87 3.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.099 . . . . 0.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -138.36 -166.15 10.56 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.506 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -90.39 -42.54 10.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 109.366 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.601 ' HB3' HG23 ' A' ' 50' ' ' VAL . . . -41.55 -56.08 2.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -58.94 -50.14 75.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.68 -47.26 20.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -59.26 -59.47 5.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.601 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.15 108.59 0.67 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.508 1.13 . . . . 0.0 110.96 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 162.58 -62.3 0.27 Allowed Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -87.3 124.52 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.444 0.732 . . . . 0.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.5 m -112.69 -165.03 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.517 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -89.54 151.68 21.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.4 44.81 57.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.83 179.14 4.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.585 0.815 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.69 ' O ' HG13 ' A' ' 103' ' ' VAL . 0.0 OUTLIER -102.54 97.79 7.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.315 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.4 HD13 HG22 ' A' ' 103' ' ' VAL . 6.0 mm -88.75 150.39 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.686 ' O ' HG22 ' A' ' 76' ' ' VAL . 6.4 mtm -146.07 -54.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -129.73 144.47 51.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.447 HG23 ' CD2' ' A' ' 101' ' ' LEU . 60.4 mt -120.49 109.58 26.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.76 HD22 ' HB1' ' A' ' 91' ' ' ALA . 1.9 t-20 59.03 25.1 13.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 0.0 109.266 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 107.44 -35.35 5.07 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.463 1.102 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.3 122.5 15.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.65 HG23 HG23 ' A' ' 77' ' ' THR . 15.1 mt -73.12 128.08 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.686 HG22 ' O ' ' A' ' 69' ' ' MET . 24.7 m -123.89 21.72 4.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.65 HG23 HG23 ' A' ' 75' ' ' ILE . 51.2 p -66.0 -14.71 62.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -139.86 26.99 2.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.53 ' CD2' HG12 ' A' ' 76' ' ' VAL . 0.9 OUTLIER -93.17 151.04 20.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.967 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.696 HG22 HG13 ' A' ' 38' ' ' VAL . 1.5 p -96.16 158.12 15.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.92 HD21 ' HA ' ' A' ' 35' ' ' GLU . 5.8 mt -38.78 -63.98 0.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 83' ' ' GLU . . . -46.68 -67.29 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 82' ' ' ALA . 12.9 mt-10 -38.9 -69.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -50.58 -65.83 0.49 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 84' ' ' ALA . 5.6 mt-10 -35.9 -53.52 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.327 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.37 -51.22 61.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 88' ' ' LEU . . . -48.4 -64.25 0.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.668 HD21 HD21 ' A' ' 30' ' ' LEU . 41.7 tp -40.33 -56.8 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -51.03 -55.23 18.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 93' ' ' ASN . 20.4 mttp -43.54 -65.7 0.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.76 ' HB1' HD22 ' A' ' 72' ' ' ASN . . . -39.89 -37.58 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.571 ' CZ2' ' HA ' ' A' ' 26' ' ' LYS . 24.2 t-105 -75.34 -50.07 17.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 107.99 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 90' ' ' LYS . 18.1 m120 -55.36 -42.47 73.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 93' ' ' ASN . 24.8 mt-30 -35.81 -46.35 0.44 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.441 ' O ' ' NZ ' ' A' ' 26' ' ' LYS . . . 120.67 -91.65 0.49 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 95' ' ' GLY . . . 44.77 -170.57 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -98.23 -44.33 6.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 0.759 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.482 ' CG ' ' HD3' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -142.02 171.03 14.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 107.987 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.504 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 12.1 tt -118.99 160.5 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.566 ' OD1' HD11 ' A' ' 21' ' ' LEU . 1.9 m-20 -120.56 135.9 54.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.642 HD12 HD12 ' A' ' 24' ' ' ILE . 53.7 mt -131.71 120.81 23.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 15.7 t -90.41 111.53 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.69 HG13 ' O ' ' A' ' 67' ' ' GLU . 3.4 t -134.01 145.37 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.429 ' HB3' ' HB3' ' A' ' 67' ' ' GLU . . . -87.89 154.52 20.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.495 HG23 ' HG3' ' A' ' 20' ' ' ARG . 38.3 t -72.25 151.78 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 42.2 t -150.15 118.58 3.65 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.279 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 164.12 33.94 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.463 1.77 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 119.23 5.56 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 0.0 110.973 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.1 -46.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 63.93 114.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -40.86 139.09 0.91 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.71 127.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.51 140.61 29.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -146.82 90.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.682 HD23 ' O ' ' A' ' 115' ' ' LEU . 0.9 OUTLIER -90.62 44.48 1.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 39.2 p -137.31 100.9 4.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.433 ' O ' ' CD1' ' A' ' 118' ' ' PHE . 1.6 m-85 -53.47 96.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.433 ' CD1' ' O ' ' A' ' 117' ' ' PHE . 5.7 m-85 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 m 63.4 143.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 0.764 . . . . 0.0 110.014 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.8 158.05 36.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.57 -123.85 3.85 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.518 1.136 . . . . 0.0 110.957 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.32 67.62 7.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.476 ' HB1' HD12 ' A' ' 14' ' ' ILE . . . -116.34 43.47 2.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.152 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.5 p -122.97 -49.77 1.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.385 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -43.27 -54.54 4.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.496 ' HZ ' ' HB2' ' A' ' 70' ' ' ALA . 23.8 m-85 -72.62 140.55 48.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.1 170.66 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.005 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -36.21 2.65 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.587 1.835 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.38 12.14 10.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.315 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -108.27 -12.54 15.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.476 HD12 ' HB1' ' A' ' 6' ' ' ALA . 4.4 pt -125.34 -46.58 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.65 124.55 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.06 -26.95 20.5 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -88.1 168.22 12.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -126.73 92.02 3.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 103' ' ' VAL . 1.3 p -119.05 153.14 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.401 ' HG3' HG23 ' A' ' 105' ' ' VAL . 1.1 mtp180 -136.01 178.13 7.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.858 HD13 HG22 ' A' ' 102' ' ' VAL . 30.8 tp -129.13 121.94 28.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.533 HD11 HG11 ' A' ' 62' ' ' VAL . 6.8 mt -107.18 144.03 34.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.31 117.56 30.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.838 HD12 HD12 ' A' ' 101' ' ' LEU . 5.5 mt -99.37 154.92 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.7 ttpp -89.98 147.45 23.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.544 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 19.4 mttt -97.12 93.06 6.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -130.02 124.39 32.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.1 -78.32 0.29 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -156.21 -172.93 4.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 110.031 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.522 ' HB2' ' CD2' ' A' ' 92' ' ' TRP . 19.1 tp -91.33 -69.36 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.64 83.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.648 HD11 HG13 ' A' ' 47' ' ' VAL . 11.0 tp -149.18 130.45 14.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.99 137.28 32.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.1 mt -124.7 157.87 34.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.737 ' HA ' HD21 ' A' ' 81' ' ' LEU . 12.0 pt-20 -154.49 157.07 37.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.355 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.648 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . 97.79 -135.84 12.41 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.856 ' O ' HG12 ' A' ' 38' ' ' VAL . . . 54.98 170.77 0.06 OUTLIER Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.856 HG12 ' O ' ' A' ' 37' ' ' GLY . 2.4 p 55.22 -158.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.718 ' H ' HG22 ' A' ' 38' ' ' VAL . 73.9 m-20 -70.15 56.8 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.59 1.181 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.566 ' HB2' HG12 ' A' ' 42' ' ' VAL . 6.4 p -97.38 161.44 26.0 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.058 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.434 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.2 Cg_endo -75.0 -4.77 15.9 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.467 1.772 . . . . 0.0 110.99 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.852 HG22 ' HG3' ' A' ' 44' ' ' LYS . 1.5 p -88.77 -38.15 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.92 3.95 88.22 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.852 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -155.0 -171.26 3.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 0.765 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.9 t -104.31 139.12 26.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.501 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 3.6 m -146.36 133.74 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.648 HG13 HD11 ' A' ' 32' ' ' LEU . 82.1 t -61.48 127.29 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.493 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 29.1 t -81.96 -46.39 14.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.39 145.35 5.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.49 HG22 HD13 ' A' ' 32' ' ' LEU . 53.9 t -106.13 89.69 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -40.18 123.23 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -66.5 -13.65 61.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -100.3 63.45 0.62 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -167.9 -164.29 23.33 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.627 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -91.29 -36.42 13.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.43 -60.05 2.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -50.45 -54.1 24.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.81 -59.11 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -47.56 -60.79 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.576 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.59 -140.46 24.35 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.128 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.15 -57.91 4.0 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.533 HG11 HD11 ' A' ' 22' ' ' LEU . 17.1 m -117.53 168.67 8.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 0.742 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 33.7 m -131.98 -173.84 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.493 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -59.85 159.66 8.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.17 -23.5 31.28 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.548 1.155 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.875 ' HB3' HG11 ' A' ' 103' ' ' VAL . 1.5 m-20 -40.17 146.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.787 ' C ' HG13 ' A' ' 103' ' ' VAL . 9.3 mt-10 -88.56 93.01 9.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.707 HD13 HG22 ' A' ' 103' ' ' VAL . 22.1 mm -70.94 149.39 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.631 ' O ' HG22 ' A' ' 76' ' ' VAL . 3.8 mtm -146.2 -54.83 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.575 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -125.71 130.83 52.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.74 HD13 ' HB2' ' A' ' 88' ' ' LEU . 83.9 mt -109.53 107.59 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.4 29.89 18.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 103.21 -41.71 2.06 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.454 1.097 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.71 128.1 34.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.477 HG23 HG23 ' A' ' 77' ' ' THR . 12.5 mt -74.12 125.53 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.631 HG22 ' O ' ' A' ' 69' ' ' MET . 13.3 m -123.69 23.1 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.477 HG23 HG23 ' A' ' 75' ' ' ILE . 32.0 p -54.89 -62.91 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.42 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -101.59 39.23 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.455 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -93.27 157.95 16.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.989 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.591 HG22 ' CB ' ' A' ' 38' ' ' VAL . 3.0 p -99.17 158.57 15.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.387 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.737 HD21 ' HA ' ' A' ' 35' ' ' GLU . 4.6 mt -40.94 -62.65 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 83' ' ' GLU . . . -47.26 -66.86 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.36 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.455 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 66.4 mt-10 -37.49 -69.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -52.31 -66.24 0.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 81' ' ' LEU . 7.7 mt-10 -37.69 -68.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.339 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.58 -61.2 2.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 83' ' ' GLU . . . -40.16 -67.53 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.74 ' HB2' HD13 ' A' ' 71' ' ' ILE . 18.6 tp -40.54 -50.46 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 92' ' ' TRP . 4.3 mm-40 -56.33 -57.68 11.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 89' ' ' GLN . 52.3 mttt -38.25 -52.29 1.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.457 ' O ' ' NZ ' ' A' ' 26' ' ' LYS . . . -51.51 -50.18 60.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.708 ' CZ3' HG21 ' A' ' 99' ' ' ILE . 7.7 t-105 -64.43 -48.22 76.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 107.999 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 94' ' ' GLN . 3.2 m-80 -46.42 -44.51 17.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 93' ' ' ASN . 20.3 mt-30 -37.41 -45.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 95.84 42.18 3.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.522 1.139 . . . . 0.0 110.964 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -78.45 179.87 51.64 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -84.67 -43.59 14.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 109.324 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -141.56 172.79 12.2 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.708 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 4.0 tt -141.39 133.88 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.725 ' HB3' HD11 ' A' ' 21' ' ' LEU . 1.2 m-20 -95.62 136.7 35.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.838 HD12 HD12 ' A' ' 24' ' ' ILE . 75.7 mt -129.25 119.64 24.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.858 HG22 HD13 ' A' ' 21' ' ' LEU . 38.5 t -91.71 117.62 35.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.875 HG11 ' HB3' ' A' ' 66' ' ' ASP . 35.9 t -139.33 147.74 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 109.247 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.466 ' HB3' ' HB2' ' A' ' 67' ' ' GLU . . . -87.14 148.21 25.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.401 HG23 ' HG3' ' A' ' 20' ' ' ARG . 52.9 t -72.8 151.27 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 7.0 t -137.31 124.28 13.77 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 108.311 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 18.1 Cg_endo -75.04 150.0 37.35 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.787 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.3 Cg_endo -75.02 121.12 6.37 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.52 1.8 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.4 pttm -115.58 -49.9 2.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -117.75 -131.2 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 110.333 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -161.16 -47.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 60.79 149.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -60.47 108.01 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -118.55 72.68 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.491 HD23 ' H ' ' A' ' 116' ' ' THR . 1.5 tp -121.43 -116.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.59 HG23 ' N ' ' A' ' 117' ' ' PHE . 4.9 t -158.72 -159.14 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 0.0 110.429 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.59 ' N ' HG23 ' A' ' 116' ' ' THR . 0.3 OUTLIER 71.9 4.75 5.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.947 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 7.2 p90 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 111.035 179.927 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 m -149.06 149.32 30.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 110.042 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -158.43 123.39 4.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 110.286 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.07 -94.94 1.19 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.544 ' O ' ' HB3' ' A' ' 6' ' ' ALA . . . 65.2 140.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 5' ' ' ALA . . . 73.79 -67.55 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.3 t -60.41 -45.75 92.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.411 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.28 -38.55 19.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -97.48 172.2 7.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.51 155.82 73.66 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -16.08 20.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.47 1.774 . . . . 0.0 110.959 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.78 15.81 28.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -117.23 -55.7 2.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.6 pt -66.43 -44.45 90.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.34 136.73 12.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.16 -42.08 2.76 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -79.48 172.54 13.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 0.739 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.39 98.42 5.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.405 ' HA ' ' HA ' ' A' ' 104' ' ' ALA . 0.4 OUTLIER -132.07 158.05 43.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.409 ' HG3' ' CG2' ' A' ' 105' ' ' VAL . 6.9 mtp180 -144.73 175.25 10.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.273 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.537 HD13 HG22 ' A' ' 102' ' ' VAL . 10.3 tp -114.9 117.56 31.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.751 HD12 HG23 ' A' ' 62' ' ' VAL . 75.7 mt -103.33 136.62 42.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.436 ' O ' ' NE2' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -112.17 125.22 53.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.302 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.69 HD12 HD12 ' A' ' 101' ' ' LEU . 21.7 mt -105.83 153.71 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -97.9 144.76 27.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.573 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 1.9 mttt -90.08 87.83 7.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -126.92 118.19 24.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.72 -76.15 1.76 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -168.89 172.26 7.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 109.986 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.517 ' HB2' ' CD2' ' A' ' 92' ' ' TRP . 36.5 tp -79.08 -85.3 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.584 1.178 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 69.52 87.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.349 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.672 HD11 HG22 ' A' ' 50' ' ' VAL . 30.3 tp -147.13 130.67 16.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.12 130.82 38.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.2 mt -119.03 157.25 28.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.726 ' CA ' HD21 ' A' ' 81' ' ' LEU . 13.1 pt-20 -156.35 162.51 40.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.327 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.661 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . 92.57 -138.06 13.99 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.88 ' O ' HG12 ' A' ' 38' ' ' VAL . . . 54.84 172.01 0.07 OUTLIER Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.88 HG12 ' O ' ' A' ' 37' ' ' GLY . 2.6 p 55.52 -158.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.74 ' H ' HG22 ' A' ' 38' ' ' VAL . 11.1 m-20 -70.04 57.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.544 ' HB2' HG12 ' A' ' 42' ' ' VAL . 9.6 p -100.19 161.55 23.82 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.003 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.446 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.3 Cg_endo -75.03 -10.0 20.98 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.865 HG22 ' HG3' ' A' ' 44' ' ' LYS . 1.5 p -82.51 -38.42 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.349 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.29 6.21 87.72 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.865 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -157.17 -171.44 3.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 0.769 . . . . 0.0 109.319 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 43.8 t -105.66 139.58 26.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.448 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 10.3 m -146.44 133.83 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 69.0 t -60.01 123.47 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 t -74.44 -48.41 27.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.994 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.3 147.19 6.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.672 HG22 HD11 ' A' ' 32' ' ' LEU . 53.9 t -104.36 91.4 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -45.85 115.47 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -52.49 -34.79 51.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.95 66.74 3.51 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.81 177.1 41.7 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.599 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -81.2 -17.27 50.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.21 -51.7 62.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -66.42 -42.77 87.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.86 -52.84 17.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.436 ' NE2' ' O ' ' A' ' 23' ' ' ARG . 22.9 t-80 -46.48 -60.83 2.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.631 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.47 58.65 2.52 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -142.64 -61.33 0.03 OUTLIER Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.751 HG23 HD12 ' A' ' 22' ' ' LEU . 2.3 t -89.39 126.5 42.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.6 m -116.48 -163.83 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -82.31 133.28 35.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.02 -16.47 42.73 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.951 ' HB3' HG11 ' A' ' 103' ' ' VAL . 0.8 OUTLIER -53.26 141.54 23.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.811 ' O ' HG13 ' A' ' 103' ' ' VAL . 13.6 mt-10 -89.29 99.84 12.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.358 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.591 HD13 HG22 ' A' ' 103' ' ' VAL . 18.4 mm -76.87 137.93 21.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.625 ' C ' HG22 ' A' ' 76' ' ' VAL . 7.4 mtm -131.73 -44.02 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.433 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -135.96 137.89 41.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.638 HD13 ' HB2' ' A' ' 88' ' ' LEU . 83.5 mt -118.95 107.2 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 71' ' ' ILE . 0.7 OUTLIER 81.21 -52.71 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -175.77 -37.73 0.05 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.15 137.74 57.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.431 0.724 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.467 HG23 HG23 ' A' ' 77' ' ' THR . 10.2 mt -72.42 129.96 35.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.625 HG22 ' C ' ' A' ' 69' ' ' MET . 14.9 m -122.36 23.17 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.467 HG23 HG23 ' A' ' 75' ' ' ILE . 17.3 p -58.64 -66.05 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.32 38.19 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.524 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -94.9 160.68 14.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.159 . . . . 0.0 110.988 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.545 HG22 ' CB ' ' A' ' 38' ' ' VAL . 2.8 p -99.78 157.51 16.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 110.399 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.726 HD21 ' CA ' ' A' ' 35' ' ' GLU . 7.4 mt -40.89 -63.57 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.96 -62.43 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.524 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 4.6 mm-40 -41.93 -69.53 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -52.6 -65.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 81' ' ' LEU . 7.6 mt-10 -35.7 -66.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.359 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 87' ' ' ALA . . . -55.65 -54.13 47.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 86' ' ' ALA . . . -40.26 -63.19 0.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.638 ' HB2' HD13 ' A' ' 71' ' ' ILE . 27.8 tp -50.14 -50.32 49.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -52.34 -58.25 7.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 91' ' ' ALA . 23.3 mttt -43.46 -65.5 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.446 ' HB1' ' OD1' ' A' ' 72' ' ' ASN . . . -38.77 -59.99 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.599 ' CH2' ' HB3' ' A' ' 55' ' ' ALA . 13.7 t-105 -54.91 -51.74 65.09 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 94' ' ' GLN . 2.0 m120 -50.1 -52.85 31.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 93' ' ' ASN . 12.7 mt-30 -35.37 -56.1 0.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 96' ' ' GLY . . . 142.45 -93.9 0.18 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.115 . . . . 0.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 95' ' ' GLY . . . 50.98 175.32 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -97.48 -43.56 7.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.484 ' CA ' ' HD2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -139.37 168.14 20.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 108.0 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.532 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 3.8 tt -127.44 148.04 32.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.568 ' O ' HD23 ' A' ' 101' ' ' LEU . 3.1 m-20 -105.23 140.71 37.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.132 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.69 HD12 HD12 ' A' ' 24' ' ' ILE . 44.9 mt -140.53 115.28 9.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.537 HG22 HD13 ' A' ' 21' ' ' LEU . 43.1 t -93.5 108.46 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.951 HG11 ' HB3' ' A' ' 66' ' ' ASP . 46.5 t -126.02 147.55 30.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.08 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' A' ' 19' ' ' VAL . . . -75.9 145.15 40.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.409 ' CG2' ' HG3' ' A' ' 20' ' ' ARG . 77.6 t -69.91 144.43 13.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -159.14 122.25 2.0 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.143 . . . . 0.0 108.362 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 157.48 42.92 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 110.76 3.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.508 1.794 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -166.91 -45.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 62.86 114.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.231 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.465 ' CE2' ' OD1' ' A' ' 113' ' ' ASP . 0.5 OUTLIER -179.08 123.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -92.96 -47.39 7.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.465 ' OD1' ' CE2' ' A' ' 111' ' ' TYR . 2.1 m-20 61.52 178.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 41.48 74.44 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.33 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.1 tp -119.02 -134.39 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.5 t -129.71 6.18 5.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.437 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -105.97 -43.51 4.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 111.009 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.48 97.47 4.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 109.994 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -54.05 177.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.88 -129.97 2.08 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.496 ' O ' ' HB3' ' A' ' 6' ' ' ALA . . . -150.07 167.96 25.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 0.791 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 5' ' ' ALA . . . 71.15 -63.46 0.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 7' ' ' THR . 52.7 p -52.92 -36.97 60.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.4 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.941 ' HG2' HD11 ' A' ' 75' ' ' ILE . 2.1 tpp -55.1 -25.99 35.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.087 . . . . 0.0 110.967 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.54 ' CE1' HD12 ' A' ' 75' ' ' ILE . 27.4 m-85 -114.16 173.91 6.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.458 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.2 OUTLIER -89.86 175.64 3.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.022 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.458 ' CD ' ' CB ' ' A' ' 10' ' ' SER . 18.4 Cg_endo -75.04 -38.54 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -84.85 2.48 42.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -102.89 -10.1 19.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 pt -126.61 -59.11 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 63.6 -128.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.95 28.81 6.87 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -80.36 153.17 28.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 0.757 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.642 ' HB3' HG12 ' A' ' 105' ' ' VAL . 8.3 m-20 -98.93 102.39 14.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.474 ' O ' HG22 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -109.09 111.62 36.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -119.77 136.73 54.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.317 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.467 HD12 ' N ' ' A' ' 22' ' ' LEU . 12.3 tp -100.3 128.55 46.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.467 ' N ' HD12 ' A' ' 21' ' ' LEU . 8.0 mt -125.5 149.19 48.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.42 118.05 33.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.761 HD13 HD12 ' A' ' 101' ' ' LEU . 2.7 mt -98.91 155.14 3.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -90.81 142.97 27.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.544 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 4.9 mttm -92.66 70.72 4.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' SER . 4.5 tp10 -118.23 143.25 46.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.32 -76.31 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' GLU . 2.3 m -173.07 -174.16 1.03 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 0.0 110.028 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.511 ' HB2' ' CD2' ' A' ' 92' ' ' TRP . 31.4 tp -92.96 -82.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 66.58 88.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 50' ' ' VAL . 5.8 tp -149.14 132.73 16.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.76 137.51 33.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.3 mt -123.97 158.12 32.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.752 ' HA ' HD21 ' A' ' 81' ' ' LEU . 11.2 pt-20 -155.79 158.28 37.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.715 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . 97.08 -139.35 14.44 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.452 1.095 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.835 ' O ' HG12 ' A' ' 38' ' ' VAL . . . 57.94 173.75 0.37 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.835 HG12 ' O ' ' A' ' 37' ' ' GLY . 2.6 p 54.21 -157.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.769 . . . . 0.0 109.251 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.74 ' H ' HG22 ' A' ' 38' ' ' VAL . 6.9 t70 -70.31 57.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.457 ' HB2' HG12 ' A' ' 42' ' ' VAL . 19.6 p -101.51 161.33 23.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.175 . . . . 0.0 110.022 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.447 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.3 Cg_endo -75.0 -18.63 18.58 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.868 HG22 ' HG3' ' A' ' 44' ' ' LYS . 1.7 p -72.62 -39.29 60.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.89 15.24 73.79 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.868 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -162.67 -179.93 7.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 0.743 . . . . 0.0 109.275 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.4 t -100.33 136.29 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.406 HG12 ' O ' ' A' ' 66' ' ' ASP . 20.9 m -144.88 134.14 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.6 t -59.39 116.95 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.485 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 47.2 t -70.56 -46.94 62.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.034 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.63 143.53 4.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.423 ' HA ' HD12 ' A' ' 32' ' ' LEU . 92.8 t -101.15 91.29 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.166 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -49.66 123.24 7.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.447 ' HA ' ' CG ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -66.06 160.17 24.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.296 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.06 -49.13 3.01 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.55 -176.89 0.21 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.637 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -75.74 -44.47 41.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.38 -55.74 6.9 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.447 ' CG ' ' HA ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -56.68 -51.85 67.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -51.46 -48.62 62.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 110.249 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -54.55 -64.42 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.648 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.76 -151.15 21.07 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.554 1.159 . . . . 0.0 110.968 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.57 -63.59 0.63 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.695 HG23 ' CG ' ' A' ' 66' ' ' ASP . 9.5 p -88.72 130.2 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.5 m -120.29 -166.15 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.485 ' CD ' ' O ' ' A' ' 48' ' ' SER . 3.2 ttpp -79.69 142.52 35.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 104.59 -11.53 50.3 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.695 ' CG ' HG23 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -53.3 -178.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.762 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.517 ' HB2' ' HB3' ' A' ' 104' ' ' ALA . 3.9 mt-10 -131.12 70.75 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.471 HG22 HG21 ' A' ' 76' ' ' VAL . 1.3 mm -47.37 142.86 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.881 ' O ' HG22 ' A' ' 76' ' ' VAL . 88.0 mtp -131.66 -52.79 1.0 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.744 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -129.37 150.1 50.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.663 HD12 HG11 ' A' ' 76' ' ' VAL . 27.2 mt -131.64 112.4 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 100' ' ' ASP . 0.1 OUTLIER 59.75 19.71 8.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 111.19 -40.22 2.62 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.137 . . . . 0.0 110.97 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.81 137.24 45.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.755 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.941 HD11 ' HG2' ' A' ' 8' ' ' MET . 30.6 mm -85.24 130.56 35.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.881 HG22 ' O ' ' A' ' 69' ' ' MET . 13.6 m -122.98 22.84 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.855 HG23 HG23 ' A' ' 75' ' ' ILE . 38.0 p -54.36 -73.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -94.33 42.15 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.467 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.3 OUTLIER -97.86 150.38 21.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.105 . . . . 0.0 111.025 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.535 HG22 ' CB ' ' A' ' 38' ' ' VAL . 2.3 p -91.88 157.27 16.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.431 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.752 HD21 ' HA ' ' A' ' 35' ' ' GLU . 6.0 mt -39.29 -63.38 0.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.6 -64.34 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.467 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 30.8 mt-10 -39.31 -69.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -53.08 -66.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 84' ' ' ALA . 8.0 mt-10 -35.91 -57.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.303 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.53 -58.67 7.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.84 -59.0 1.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.611 ' HB2' HD13 ' A' ' 71' ' ' ILE . 8.0 tp -48.27 -58.37 4.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 90' ' ' LYS . 11.4 mm100 -52.08 -61.27 2.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 89' ' ' GLN . 9.7 mttp -37.86 -49.65 1.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 88' ' ' LEU . . . -53.39 -56.27 18.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.704 ' CZ3' HG21 ' A' ' 99' ' ' ILE . 8.4 t-105 -59.44 -47.04 87.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 108.035 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 94' ' ' GLN . 2.9 m120 -46.63 -46.97 20.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 93' ' ' ASN . 19.8 mt-30 -36.41 -58.59 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 104.44 105.74 3.04 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.449 ' CA ' ' HD3' ' A' ' 26' ' ' LYS . . . -146.66 -166.78 12.46 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -97.22 -43.25 7.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -141.34 156.34 45.85 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.704 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 11.0 tt -131.4 138.15 53.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 72' ' ' ASN . 1.1 m-20 -98.02 119.99 37.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.761 HD12 HD13 ' A' ' 24' ' ' ILE . 66.7 mt -117.82 113.9 22.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.365 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.744 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 36.8 t -83.82 118.41 31.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 66' ' ' ASP . 0.2 OUTLIER -150.28 140.92 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.626 ' HB1' ' O ' ' A' ' 18' ' ' ASP . . . -78.94 149.94 32.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.642 HG12 ' HB3' ' A' ' 18' ' ' ASP . 11.9 p -89.52 149.35 4.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.8 t -176.52 127.55 0.33 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 108.314 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 171.31 18.56 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.531 1.806 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 109.84 3.0 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.496 1.787 . . . . 0.0 111.039 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.81 -47.61 1.04 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 65.43 116.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.75 107.02 3.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -98.11 119.72 37.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 113' ' ' ASP . 7.0 p-10 -175.54 102.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -122.74 -40.12 2.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.425 HD23 ' H ' ' A' ' 116' ' ' THR . 2.0 tp -131.39 -117.95 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.425 ' H ' HD23 ' A' ' 115' ' ' LEU . 3.0 t -168.05 133.82 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.388 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -70.52 72.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -147.05 87.28 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.76 . . . . 0.0 109.979 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -177.73 156.37 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.56 -149.26 24.59 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.536 1.147 . . . . 0.0 111.001 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.459 ' O ' ' HB2' ' A' ' 6' ' ' ALA . . . -70.72 174.45 5.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 0.801 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . 177.83 -44.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.1 t -62.83 -31.78 72.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.401 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.7 ttm -63.14 -22.18 66.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.402 ' CE2' HG11 ' A' ' 19' ' ' VAL . 91.2 m-85 -105.88 139.97 39.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.77 162.13 12.99 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -26.16 11.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.551 1.817 . . . . 0.0 111.042 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.66 19.34 7.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 -116.95 -60.31 1.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 110.262 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.499 ' O ' ' CD ' ' A' ' 17' ' ' LYS . 2.9 pt -63.33 -56.33 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 40.09 74.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 17' ' ' LYS . . . 87.05 -42.53 3.16 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.513 1.133 . . . . 0.0 110.951 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.499 ' CD ' ' O ' ' A' ' 14' ' ' ILE . 4.8 mttt -39.7 107.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.747 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.77 102.04 8.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.626 HG22 ' HE3' ' A' ' 69' ' ' MET . 22.4 t -72.68 131.67 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.607 ' HG3' HG23 ' A' ' 105' ' ' VAL . 3.9 mtp180 -117.82 123.7 46.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.541 HD11 ' CG ' ' A' ' 100' ' ' ASP . 2.4 tp -95.54 111.48 23.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.604 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 1.6 mt -103.51 159.48 15.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -126.81 117.28 22.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.873 HD13 HD12 ' A' ' 101' ' ' LEU . 3.3 mt -108.98 140.34 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -83.77 148.94 26.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.586 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 0.6 OUTLIER -95.12 77.17 3.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 58' ' ' ARG . 1.1 tt0 -135.65 118.32 16.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.22 60.42 4.13 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 45.04 -169.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.589 HD13 ' CZ3' ' A' ' 92' ' ' TRP . 58.9 tp -106.84 -64.44 1.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 62.46 68.51 0.66 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.509 HD23 HD21 ' A' ' 88' ' ' LEU . 5.8 tp -132.9 133.07 42.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.401 ' O ' HD23 ' A' ' 34' ' ' LEU . . . -94.03 146.79 23.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 47' ' ' VAL . 19.3 mt -132.02 157.98 42.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.895 ' HA ' HD21 ' A' ' 81' ' ' LEU . 25.6 pt-20 -155.97 161.98 40.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 0.0 110.336 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.558 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . 93.59 -144.57 17.17 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . 66.85 -170.97 31.79 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.806 HG13 ' N ' ' A' ' 39' ' ' ASP . 1.8 p 36.68 -149.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 0.741 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.806 ' N ' HG13 ' A' ' 38' ' ' VAL . 56.3 m-20 -77.94 54.6 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 78.4 p -90.17 160.36 40.29 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.982 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.448 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.2 Cg_endo -74.96 -3.25 13.64 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.538 1.809 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.892 HG22 ' HG2' ' A' ' 44' ' ' LYS . 2.4 p -92.41 -40.81 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.96 11.46 84.48 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.447 1.092 . . . . 0.0 110.991 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.892 ' HG2' HG22 ' A' ' 42' ' ' VAL . 23.7 pttt -159.58 177.34 11.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 0.793 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.9 t -97.45 133.45 39.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.6 m -146.29 134.49 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.585 HG23 HD11 ' A' ' 68' ' ' ILE . 74.3 t -58.36 128.06 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.526 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 44.0 t -82.09 -45.6 15.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.43 146.14 5.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.863 HG23 ' HB3' ' A' ' 56' ' ' ALA . 1.5 p -114.13 90.11 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -45.24 116.38 1.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 111.049 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -43.09 -39.62 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.47 54.01 4.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -146.94 -167.47 13.05 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.515 ' CB ' ' CH2' ' A' ' 92' ' ' TRP . . . -91.54 -47.32 7.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.863 ' HB3' HG23 ' A' ' 50' ' ' VAL . . . -41.92 -47.71 4.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.406 ' CD ' ' C ' ' A' ' 57' ' ' GLU . 6.4 tm-20 -52.57 -54.59 30.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.333 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.403 ' CZ ' ' HB3' ' A' ' 27' ' ' GLU . 51.3 mtm180 -42.63 -54.91 3.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.604 ' CE1' ' HB3' ' A' ' 22' ' ' LEU . 23.2 t60 -40.36 -66.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.599 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' GLY . . . 85.61 -43.85 3.29 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 60' ' ' GLY . . . -37.03 -47.62 1.35 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.427 HG11 HD11 ' A' ' 22' ' ' LEU . 2.4 m -120.95 165.08 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 64' ' ' LYS . 11.2 m -144.29 -152.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.526 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -86.64 142.23 28.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.32 -25.81 22.19 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.108 . . . . 0.0 110.949 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.477 ' HB3' ' CG1' ' A' ' 103' ' ' VAL . 44.3 m-20 -51.67 -177.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.763 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.462 ' CG ' ' HE3' ' A' ' 44' ' ' LYS . 0.6 OUTLIER -120.55 106.25 11.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.613 HD13 HG22 ' A' ' 103' ' ' VAL . 6.4 mm -81.26 141.47 15.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.808 ' O ' HG22 ' A' ' 76' ' ' VAL . 25.1 mtm -129.23 -54.55 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.66 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -122.81 153.26 39.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.78 HD13 ' HB2' ' A' ' 88' ' ' LEU . 42.1 mt -132.7 107.24 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 100' ' ' ASP . 0.1 OUTLIER 63.85 16.3 9.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 113.34 -37.06 3.76 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.2 122.46 16.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 0.757 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.848 HG23 HG23 ' A' ' 77' ' ' THR . 34.5 mt -67.44 133.01 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.808 HG22 ' O ' ' A' ' 69' ' ' MET . 18.8 m -123.11 23.15 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.251 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.848 HG23 HG23 ' A' ' 75' ' ' ILE . 25.5 p -52.9 -66.2 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.43 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.59 39.44 1.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.537 ' CG ' ' HA ' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -94.84 137.96 33.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.55 HG22 HG23 ' A' ' 38' ' ' VAL . 6.1 p -80.41 157.04 26.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.425 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.895 HD21 ' HA ' ' A' ' 35' ' ' GLU . 4.1 mt -40.75 -63.21 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.36 -49.79 42.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.39 -69.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -56.87 -62.73 1.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 84' ' ' ALA . 5.0 mt-10 -38.11 -49.36 1.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.49 -61.37 1.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.78 -58.17 1.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.78 ' HB2' HD13 ' A' ' 71' ' ' ILE . 49.3 tp -50.85 -60.09 3.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -50.4 -57.43 7.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.271 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 91' ' ' ALA . 0.7 OUTLIER -40.53 -65.21 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 90' ' ' LYS . . . -38.63 -58.49 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.589 ' CZ3' HD13 ' A' ' 30' ' ' LEU . 7.0 t-105 -56.33 -52.77 63.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 107.976 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 94' ' ' GLN . 5.1 m120 -49.81 -52.45 32.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 93' ' ' ASN . 13.0 mt-30 -36.49 -55.05 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.342 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.419 ' O ' ' HD3' ' A' ' 26' ' ' LYS . . . 142.8 -94.28 0.18 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 95' ' ' GLY . . . 51.99 172.89 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -97.58 -43.63 7.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.428 ' C ' ' HD2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -139.91 175.73 9.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 107.996 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.498 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 3.7 tt -139.7 143.88 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.541 ' CG ' HD11 ' A' ' 21' ' ' LEU . 23.3 m-20 -103.58 113.09 26.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.873 HD12 HD13 ' A' ' 24' ' ' ILE . 60.1 mt -109.06 112.24 24.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.66 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 42.1 t -87.35 108.53 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.613 HG22 HD13 ' A' ' 68' ' ' ILE . 42.6 t -122.1 146.28 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.38 161.04 21.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.607 HG23 ' HG3' ' A' ' 20' ' ' ARG . 62.1 t -88.6 149.13 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -160.97 147.1 11.33 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 108.333 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -74.96 151.91 40.31 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.542 1.811 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.2 Cg_endo -75.02 -175.76 2.53 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.495 1.787 . . . . 0.0 110.959 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 178.98 -40.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -90.83 38.67 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -112.96 152.85 28.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -177.93 91.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -81.49 -51.05 8.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 77.15 -55.52 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.343 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.403 ' HG ' ' N ' ' A' ' 116' ' ' THR . 0.7 OUTLIER -166.82 -42.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.827 HG23 ' H ' ' A' ' 118' ' ' PHE . 13.3 t -98.74 -143.07 0.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.406 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.604 ' N ' HG23 ' A' ' 116' ' ' THR . 0.1 OUTLIER -147.4 29.03 0.96 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 111.051 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.827 ' H ' HG23 ' A' ' 116' ' ' THR . 3.1 p90 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.45 139.35 6.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 110.015 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 61.76 147.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.33 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.99 -123.44 2.21 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.559 1.162 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.665 ' O ' ' HB3' ' A' ' 6' ' ' ALA . . . -67.67 -64.17 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 5' ' ' ALA . . . 81.57 -61.21 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 63.0 p -50.8 -43.66 58.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 110.419 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.412 ' HG2' HD11 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -47.37 -32.64 5.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -109.08 176.72 4.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.72 163.62 53.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.032 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -12.61 21.45 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.47 1.773 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.82 8.29 30.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.263 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -108.45 -40.16 5.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 17' ' ' LYS . 2.0 pt -80.97 -36.47 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.17 124.34 1.85 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.89 -43.74 3.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.449 1.093 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 14' ' ' ILE . 1.1 mttm -58.47 153.38 16.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 0.733 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -129.87 91.33 3.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.76 156.22 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.6 167.68 20.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 22' ' ' LEU . 12.5 tp -110.49 122.99 49.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.409 ' N ' HD12 ' A' ' 21' ' ' LEU . 33.4 mt -116.24 121.2 41.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.76 122.97 33.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.824 HD12 HD12 ' A' ' 101' ' ' LEU . 41.0 mt -107.32 125.31 63.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.241 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -66.89 138.41 57.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.58 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 2.9 mttt -86.78 83.99 7.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -135.36 121.53 20.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.09 78.65 0.13 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.132 . . . . 0.0 111.005 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.6 ' O ' ' CZ2' ' A' ' 92' ' ' TRP . 0.2 OUTLIER 41.52 -161.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 0.736 . . . . 0.0 109.987 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.853 HD13 ' CZ3' ' A' ' 92' ' ' TRP . 47.6 tp -108.22 -75.19 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 75.26 69.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.725 ' CD1' HG22 ' A' ' 50' ' ' VAL . 15.4 tp -136.02 132.45 36.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.36 141.56 34.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.452 HD22 ' O ' ' A' ' 46' ' ' VAL . 84.5 mt -128.45 160.78 31.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.963 ' HA ' HD21 ' A' ' 81' ' ' LEU . 10.3 pt-20 -153.24 171.59 18.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 97.03 -135.29 12.14 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 38' ' ' VAL . . . 48.55 -170.19 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.46 ' O ' ' O ' ' A' ' 37' ' ' GLY . 1.1 m 40.51 -163.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.269 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -76.37 53.3 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.452 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 9.5 p -93.38 165.2 18.8 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.452 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.4 Cg_endo -74.96 -4.79 15.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.532 1.807 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.906 HG12 ' HG3' ' A' ' 44' ' ' LYS . 97.1 t -88.66 -47.64 15.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.45 27.91 62.62 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.906 ' HG3' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -177.54 167.62 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.758 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.8 t -91.48 139.07 18.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.479 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 23.1 m -146.25 -166.16 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.4 t -108.89 112.25 39.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.464 1.103 . . . . 0.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.508 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 15.1 t -71.92 -46.24 58.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.51 150.36 7.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.725 HG22 ' CD1' ' A' ' 32' ' ' LEU . 24.7 t -110.96 89.75 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -46.83 122.52 4.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -64.58 160.27 19.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.09 -43.89 3.29 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.138 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.64 -168.98 0.03 OUTLIER Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.478 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -82.57 -47.39 12.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.405 ' CB ' HD13 ' A' ' 32' ' ' LEU . . . -44.47 -57.09 3.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -49.83 -54.22 20.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.82 -54.78 7.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -46.43 -65.7 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.612 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 83.13 -149.18 26.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.553 1.158 . . . . 0.0 110.966 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.25 -59.2 4.0 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.6 m -115.8 158.84 16.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.41 ' O ' ' CG ' ' A' ' 66' ' ' ASP . 19.7 m -137.68 176.17 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.508 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -40.37 147.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.34 -39.3 2.95 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.492 ' HB3' HG11 ' A' ' 103' ' ' VAL . 3.6 m-20 -42.05 157.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 109.242 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.506 ' HB3' ' HB3' ' A' ' 104' ' ' ALA . 39.3 tt0 -109.15 112.88 25.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.514 HD13 HG22 ' A' ' 103' ' ' VAL . 5.0 mm -83.03 135.42 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.781 ' O ' HG22 ' A' ' 76' ' ' VAL . 80.6 mtp -120.81 -50.94 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 74' ' ' LYS . . . -134.67 139.67 45.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.629 HG23 ' CD2' ' A' ' 101' ' ' LEU . 33.7 mt -115.23 117.76 56.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 100' ' ' ASP . 1.1 t-20 51.53 22.34 1.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.409 ' O ' ' SD ' ' A' ' 8' ' ' MET . . . 114.44 -44.83 1.41 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 111.041 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -41.7 153.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 109.333 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.662 HG23 HG23 ' A' ' 77' ' ' THR . 12.1 mm -100.45 118.15 46.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.781 HG22 ' O ' ' A' ' 69' ' ' MET . 11.4 m -123.64 22.73 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.662 HG23 HG23 ' A' ' 75' ' ' ILE . 34.2 p -60.05 -34.1 72.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.366 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -133.34 37.13 3.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.352 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.566 ' CE1' ' O ' ' A' ' 75' ' ' ILE . 0.8 OUTLIER -89.0 167.62 13.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.944 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.41 HG22 HG13 ' A' ' 38' ' ' VAL . 1.2 p -107.11 157.01 18.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.392 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.963 HD21 ' HA ' ' A' ' 35' ' ' GLU . 6.7 mt -41.87 -63.08 0.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.48 -64.04 0.89 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -39.93 -69.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -52.8 -65.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 81' ' ' LEU . 5.6 mt-10 -37.41 -40.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 110.353 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.16 -57.79 3.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.09 -61.42 1.77 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.548 ' HB2' HD13 ' A' ' 71' ' ' ILE . 32.3 tp -40.96 -50.01 3.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 92' ' ' TRP . 9.9 mm100 -59.16 -64.49 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 89' ' ' GLN . 61.8 mttt -38.32 -50.67 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.95 -50.63 60.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.853 ' CZ3' HD13 ' A' ' 30' ' ' LEU . 15.1 t-105 -64.63 -50.39 67.33 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 94' ' ' GLN . 4.1 m120 -43.73 -43.76 6.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 93' ' ' ASN . 13.4 mt-30 -36.53 -53.51 0.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.256 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 94.92 104.87 1.95 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.439 1.087 . . . . 0.0 111.043 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.477 ' CA ' ' HD3' ' A' ' 26' ' ' LYS . . . -148.33 -164.67 11.55 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.422 ' HB3' ' CD1' ' A' ' 98' ' ' TRP . 1.3 t0 -97.49 -43.86 7.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.422 ' CD1' ' HB3' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -141.67 146.94 36.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 107.99 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.679 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 12.2 tt -119.31 138.12 51.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 72' ' ' ASN . 1.1 m-20 -92.06 130.69 37.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.824 HD12 HD12 ' A' ' 24' ' ' ILE . 22.1 mt -134.54 112.68 11.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 21.9 t -80.75 124.68 38.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.514 HG22 HD13 ' A' ' 68' ' ' ILE . 8.9 t -136.88 141.89 39.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.506 ' HB3' ' HB3' ' A' ' 67' ' ' GLU . . . -87.2 150.67 23.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 54.0 t -80.09 150.84 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 4.9 t -144.21 129.84 9.74 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 108.286 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -74.98 151.41 39.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.523 1.802 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.494 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 18.4 Cg_endo -74.99 139.91 24.86 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.507 1.793 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 108' ' ' PRO . 0.0 OUTLIER 164.66 -47.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.338 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 67.47 114.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.246 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -154.74 145.88 22.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -100.3 123.06 44.07 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -68.12 162.1 25.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.54 ' O ' HD12 ' A' ' 115' ' ' LEU . 0.5 OUTLIER -98.65 -34.75 10.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.54 HD12 ' O ' ' A' ' 114' ' ' GLU . 0.0 OUTLIER 177.61 -83.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 56.3 p -135.46 -143.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.28 -45.2 9.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 22.5 p90 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.976 . . . . . . . . 0 0 . 1 . 011 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 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -157.65 -58.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.773 . . . . 0.0 109.967 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -69.13 146.82 52.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.99 92.67 0.09 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.502 1.127 . . . . 0.0 110.997 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 43.18 80.12 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 109.337 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.455 ' HB1' HD12 ' A' ' 14' ' ' ILE . . . -127.32 16.44 7.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.1 p -98.94 -45.79 5.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.361 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.406 ' HE2' ' HB2' ' A' ' 8' ' ' MET . 0.0 OUTLIER -47.96 -51.65 22.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -73.77 173.34 9.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.24 159.48 56.44 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.982 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -16.31 20.39 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.477 1.777 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -103.52 15.37 29.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -115.92 -52.89 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.455 HD12 ' HB1' ' A' ' 6' ' ' ALA . 2.2 pt -67.28 -41.29 86.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.29 126.51 11.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.05 -48.41 1.14 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.454 1.096 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -72.98 168.39 19.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 0.792 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.501 ' HB3' HG12 ' A' ' 105' ' ' VAL . 71.1 m-20 -115.68 86.1 2.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 39.4 t -82.87 123.73 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.9 mtt180 -126.41 123.64 38.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.889 HD11 ' CG ' ' A' ' 100' ' ' ASP . 21.1 tp -92.86 116.88 29.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.468 HD11 HG21 ' A' ' 62' ' ' VAL . 15.3 mt -104.9 148.35 26.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.574 ' NH1' ' CD2' ' A' ' 98' ' ' TRP . 2.3 ttm-85 -116.8 109.28 16.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.256 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.502 ' O ' ' CB ' ' A' ' 98' ' ' TRP . 69.4 mt -96.82 153.17 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -93.04 138.96 31.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.58 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 29.4 mttt -88.09 80.62 7.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.164 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 29' ' ' SER . 7.8 tp10 -121.53 137.6 54.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.96 -79.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.563 ' O ' ' CZ2' ' A' ' 92' ' ' TRP . 1.2 p -156.63 -170.77 3.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 0.762 . . . . 0.0 110.02 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.585 HD13 ' CE3' ' A' ' 92' ' ' TRP . 35.5 tp -96.78 -61.45 1.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 53.09 84.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.491 HD23 HD21 ' A' ' 88' ' ' LEU . 49.4 tp -149.25 131.59 15.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.25 137.5 33.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 47' ' ' VAL . 37.0 mt -127.52 154.97 44.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.964 ' HA ' HD21 ' A' ' 81' ' ' LEU . 13.0 pt-20 -156.5 155.43 31.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.529 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . 105.4 -152.65 17.24 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.469 1.105 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . 65.72 -168.8 31.28 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.796 HG13 ' N ' ' A' ' 39' ' ' ASP . 1.7 p 36.25 -148.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.796 ' N ' HG13 ' A' ' 38' ' ' VAL . 9.1 t0 -78.47 52.54 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 96.1 p -92.2 158.87 38.48 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.3 Cg_endo -74.94 3.41 5.61 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.847 HG22 ' HG3' ' A' ' 44' ' ' LYS . 1.4 p -103.48 -45.15 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.43 9.61 81.38 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.847 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -157.84 167.66 29.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.747 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.6 t -85.35 137.22 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 15.5 m -146.99 134.55 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.459 ' HA ' HD23 ' A' ' 34' ' ' LEU . 72.2 t -58.34 119.92 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.511 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 3.3 t -75.96 -46.4 29.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.025 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.92 145.58 5.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.3 t -101.11 89.85 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -40.24 135.55 1.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -83.49 138.52 33.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.34 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 103.96 -39.35 2.84 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -57.07 -170.53 0.15 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.644 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -86.07 -31.42 21.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.18 -55.52 32.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -58.41 -46.48 86.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.349 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.66 -51.38 12.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.451 ' CG ' HG12 ' A' ' 24' ' ' ILE . 30.3 t-80 -52.55 -65.58 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.558 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.425 ' O ' ' ND1' ' A' ' 59' ' ' HIS . . . 78.28 -169.9 54.63 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.122 . . . . 0.0 111.045 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.23 -30.12 8.05 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.468 HG21 HD11 ' A' ' 22' ' ' LEU . 2.0 t -131.57 157.8 43.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.4 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 26.8 m -125.23 -166.02 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.511 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.1 OUTLIER -77.88 167.75 21.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.65 -0.4 89.21 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.973 ' HB3' HG21 ' A' ' 103' ' ' VAL . 0.5 OUTLIER -57.58 154.41 11.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.967 ' C ' HG23 ' A' ' 103' ' ' VAL . 3.4 mt-10 -93.1 73.08 4.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.606 HD13 ' HB ' ' A' ' 103' ' ' VAL . 15.4 mm -58.09 142.66 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.659 ' O ' HG22 ' A' ' 76' ' ' VAL . 25.1 mtm -142.12 -45.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.719 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -136.44 137.05 40.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.741 HD12 HG11 ' A' ' 76' ' ' VAL . 29.6 mt -116.6 108.56 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 71' ' ' ILE . 0.2 OUTLIER 82.48 -52.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -176.55 -37.31 0.05 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.2 tptt -64.88 141.29 58.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 0.752 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.816 HG23 HG23 ' A' ' 77' ' ' THR . 26.5 mt -78.68 132.12 32.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.741 HG11 HD12 ' A' ' 71' ' ' ILE . 11.6 m -122.63 22.95 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.816 HG23 HG23 ' A' ' 75' ' ' ILE . 40.8 p -57.56 -64.93 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.407 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -97.35 40.46 1.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.563 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.3 OUTLIER -100.11 152.01 20.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.557 HG22 HG23 ' A' ' 38' ' ' VAL . 6.6 p -90.18 153.53 20.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.416 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.964 HD21 ' HA ' ' A' ' 35' ' ' GLU . 5.1 mt -39.9 -64.72 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -45.82 -55.09 7.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.563 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -45.78 -69.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -54.94 -63.08 1.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 84' ' ' ALA . 22.5 mt-10 -36.49 -47.25 0.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 110.326 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.09 -61.2 1.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.2 -51.9 2.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.627 ' HB2' HD13 ' A' ' 71' ' ' ILE . 4.6 tp -56.21 -62.93 1.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.578 ' OE1' HD23 ' A' ' 30' ' ' LEU . 13.8 mm100 -48.32 -50.61 29.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 89' ' ' GLN . 23.6 mttt -39.73 -58.74 1.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.409 ' O ' ' NZ ' ' A' ' 26' ' ' LYS . . . -46.29 -44.2 16.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.644 ' CH2' ' HB3' ' A' ' 55' ' ' ALA . 5.3 t-105 -68.65 -48.88 62.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 108.021 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 94' ' ' GLN . 4.9 m120 -53.46 -45.53 69.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 93' ' ' ASN . 10.0 mt-30 -36.46 -43.42 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.275 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 95.0 66.48 1.0 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.443 1.089 . . . . 0.0 111.034 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -106.49 -166.18 22.73 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -97.83 -44.87 6.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.766 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.574 ' CD2' ' NH1' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -142.6 175.48 9.77 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.495 HG23 ' HB ' ' A' ' 24' ' ' ILE . 5.5 tt -140.77 140.93 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.889 ' CG ' HD11 ' A' ' 21' ' ' LEU . 1.7 m-20 -100.23 143.02 30.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.455 HD11 HD12 ' A' ' 24' ' ' ILE . 75.1 mt -128.35 126.04 39.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.719 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 38.9 t -103.12 99.4 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.973 HG21 ' HB3' ' A' ' 66' ' ' ASP . 3.5 p -146.27 147.27 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 18' ' ' ASP . . . -69.8 143.88 52.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.501 HG12 ' HB3' ' A' ' 18' ' ' ASP . 9.0 p -80.52 148.67 5.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 42.2 t -155.73 117.03 2.28 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 108.291 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 18.2 Cg_endo -75.05 149.83 37.06 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.471 1.774 . . . . 0.0 110.951 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.3 Cg_endo -75.02 119.9 5.84 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.495 1.787 . . . . 0.0 111.027 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 171.98 -36.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -152.16 104.79 3.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -54.94 -172.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -156.54 119.67 4.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 174.09 179.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 60.19 85.54 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -139.8 32.05 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 18.8 p -121.15 83.59 2.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.415 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 57.56 81.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 111.041 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 47.83 96.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.764 . . . . 0.0 109.957 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.1 -69.22 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.12 116.66 3.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.482 1.114 . . . . 0.0 111.05 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.465 ' O ' ' HB3' ' A' ' 6' ' ' ALA . . . -60.26 -172.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 5' ' ' ALA . . . 69.82 13.84 8.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.8 p -105.51 -38.87 6.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.407 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.459 ' O ' HD11 ' A' ' 75' ' ' ILE . 3.2 mpp? -89.51 43.96 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 111.052 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -146.53 164.47 32.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.79 161.18 78.8 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.027 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -27.75 9.86 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.9 16.8 13.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -116.87 -53.63 2.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.3 pt -68.95 -41.26 81.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.31 124.45 6.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.27 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.8 -41.05 3.04 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -62.03 161.16 11.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 109.299 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.54 86.07 2.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 92.6 t -95.86 131.01 43.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.439 ' HG3' HG23 ' A' ' 105' ' ' VAL . 7.9 mtp180 -132.37 132.3 42.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.671 HD12 ' N ' ' A' ' 22' ' ' LEU . 1.8 tp -90.77 119.72 31.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.671 ' N ' HD12 ' A' ' 21' ' ' LEU . 9.1 mt -113.29 144.56 42.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.5 ttp-105 -120.39 115.59 23.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.747 HD12 HD12 ' A' ' 101' ' ' LEU . 53.7 mt -98.25 155.04 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -89.79 144.83 25.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.253 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.537 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 16.5 mttt -96.33 76.9 2.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -121.84 133.08 54.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.82 -76.17 0.71 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 2.6 m -169.92 -175.07 1.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.771 . . . . 0.0 110.002 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.535 HD13 ' CE3' ' A' ' 92' ' ' TRP . 27.1 tp -91.65 -85.98 0.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 72.21 87.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.512 ' CD1' HG22 ' A' ' 50' ' ' VAL . 6.1 tp -149.62 130.19 13.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.408 ' O ' HD23 ' A' ' 34' ' ' LEU . . . -94.33 151.73 19.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.582 ' C ' HD21 ' A' ' 81' ' ' LEU . 83.2 mt -132.99 158.35 42.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.55 ' O ' HG22 ' A' ' 46' ' ' VAL . 16.8 pt-20 -156.34 142.27 18.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 110.272 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.548 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . 108.42 -138.76 14.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . 60.75 -165.51 14.31 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.764 HG13 ' N ' ' A' ' 39' ' ' ASP . 2.9 p 33.41 -145.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.775 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.764 ' N ' HG13 ' A' ' 38' ' ' VAL . 4.7 p-10 -80.39 52.16 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 96.3 p -88.07 160.33 46.39 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.588 1.18 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.447 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.4 Cg_endo -74.96 -2.61 12.76 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.529 1.805 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.902 HG22 ' HG3' ' A' ' 44' ' ' LYS . 3.0 p -94.39 -41.2 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.42 -1.99 86.18 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.902 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -146.29 162.26 38.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 0.782 . . . . 0.0 109.237 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.8 t -79.45 139.53 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 35' ' ' GLU . 17.0 m -146.94 134.46 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.18 128.78 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.6 t -80.22 -47.56 14.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.966 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.86 151.79 7.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.523 HG21 ' O ' ' A' ' 62' ' ' VAL . 52.9 t -108.97 89.74 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 -41.37 120.93 1.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.49 -21.2 66.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -98.01 55.65 1.14 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.59 -165.07 13.83 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.608 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -90.58 -32.77 16.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.55 -57.59 7.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' ARG . 8.5 tm-20 -54.01 -52.68 60.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -38.16 -58.49 0.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.493 ' CG ' HG12 ' A' ' 24' ' ' ILE . 41.7 t-80 -50.29 -64.11 0.91 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 0.0 109.595 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.75 68.35 1.48 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.547 1.154 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -139.81 -59.18 0.04 OUTLIER Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.523 ' O ' HG21 ' A' ' 50' ' ' VAL . 11.4 p -90.81 124.29 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.439 HG23 ' N ' ' A' ' 64' ' ' LYS . 2.8 m -103.88 -165.17 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.439 ' N ' HG23 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -84.87 149.05 25.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.52 45.83 82.0 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.71 -172.25 3.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.667 ' HB2' ' HB3' ' A' ' 104' ' ' ALA . 59.5 mt-10 -115.84 56.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.8 mm -54.32 139.44 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.706 ' O ' HG22 ' A' ' 76' ' ' VAL . 22.8 mtm -134.82 -51.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.679 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -127.28 152.66 47.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.837 HD13 ' HB2' ' A' ' 88' ' ' LEU . 26.5 mt -126.96 115.36 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 49.85 23.89 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 115.31 -56.73 0.5 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.428 1.08 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.1 126.89 11.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.677 HG23 HG23 ' A' ' 77' ' ' THR . 25.9 mt -73.15 133.8 31.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.706 HG22 ' O ' ' A' ' 69' ' ' MET . 16.0 m -122.64 23.13 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.677 HG23 HG23 ' A' ' 75' ' ' ILE . 9.1 p -54.01 -79.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.392 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -90.59 41.54 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.432 ' CG ' ' HA ' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -98.59 156.05 16.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.513 HG22 ' CB ' ' A' ' 38' ' ' VAL . 11.3 p -96.66 154.23 17.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.331 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.582 HD21 ' C ' ' A' ' 34' ' ' LEU . 2.0 mt -38.55 -65.99 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 83' ' ' GLU . . . -41.28 -66.87 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -37.2 -70.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.334 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -53.41 -58.76 5.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 81' ' ' LEU . 11.7 mm-40 -36.79 -57.96 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.254 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.32 -56.08 11.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.26 -49.61 2.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.837 ' HB2' HD13 ' A' ' 71' ' ' ILE . 38.4 tp -63.92 -57.06 10.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 92' ' ' TRP . 3.2 mm100 -49.92 -60.0 3.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 89' ' ' GLN . 25.6 mttt -37.85 -51.83 1.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 88' ' ' LEU . . . -51.74 -50.78 59.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.679 ' CZ3' HG21 ' A' ' 99' ' ' ILE . 8.1 t-105 -64.4 -48.94 73.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 108.014 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 94' ' ' GLN . 3.7 m120 -44.28 -42.62 6.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 93' ' ' ASN . 26.5 mt-30 -38.23 -43.64 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.68 29.75 10.47 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -66.8 -174.63 6.42 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.422 ' HB2' ' CE2' ' A' ' 98' ' ' TRP . 1.3 m-20 -88.44 -43.11 11.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 0.749 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.422 ' CE2' ' HB2' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -141.15 174.92 10.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 107.975 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.679 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 5.8 tt -142.23 137.89 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.57 ' CG ' HD11 ' A' ' 21' ' ' LEU . 9.1 m-20 -97.41 138.84 34.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.747 HD12 HD12 ' A' ' 24' ' ' ILE . 49.8 mt -128.12 128.72 45.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.679 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 59.1 t -101.46 100.69 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 104' ' ' ALA . 0.2 OUTLIER -144.66 136.09 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.667 ' HB3' ' HB2' ' A' ' 67' ' ' GLU . . . -62.1 -178.42 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.439 HG23 ' HG3' ' A' ' 20' ' ' ARG . 76.8 t -93.07 148.23 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 179.15 117.65 0.21 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 108.328 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 165.73 30.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.782 . . . . 0.0 111.047 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 120.9 6.26 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.485 1.781 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.73 -48.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 65.68 116.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 110.255 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.43 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 0.6 OUTLIER -47.42 -48.5 26.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 111' ' ' TYR . 2.6 t70 77.44 -65.13 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -86.33 177.68 7.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.19 77.48 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.9 tp -115.2 -132.75 0.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -111.37 -8.23 14.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.451 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -48.55 -37.03 16.74 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.0 m -49.89 144.4 6.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 0.732 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -176.37 107.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.593 ' O ' ' HB3' ' A' ' 5' ' ' ALA . . . -172.1 81.45 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.135 . . . . 0.0 111.02 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 4' ' ' GLY . . . 76.49 -57.17 0.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 5' ' ' ALA . . . -39.27 -70.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.2 p -47.13 -45.27 22.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.384 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.7 ttm -54.31 -27.16 33.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 111.041 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.41 ' HE2' ' HB1' ' A' ' 5' ' ' ALA . 71.7 m-85 -108.16 141.1 40.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.14 157.94 5.59 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 110.001 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -17.36 19.63 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -101.04 16.75 24.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.103 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -116.74 -53.96 2.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.5 pt -66.95 -40.33 85.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.27 119.92 2.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.54 -43.0 3.08 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -57.57 173.19 0.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 0.758 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -131.61 88.62 2.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.1 t -104.28 147.18 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.549 ' HG3' HG23 ' A' ' 105' ' ' VAL . 17.0 mtt180 -144.27 121.85 11.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.623 HD12 ' O ' ' A' ' 101' ' ' LEU . 27.2 tp -102.81 129.45 49.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 mt -123.15 152.66 40.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 109.32 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.04 128.81 55.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.732 HD12 HD12 ' A' ' 101' ' ' LEU . 51.6 mt -120.33 149.75 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.88 148.2 32.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.577 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 20.6 mttt -94.72 77.82 3.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.642 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 1.7 tp10 -130.85 155.28 46.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 40.54 58.65 2.48 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.447 ' C ' ' NE1' ' A' ' 92' ' ' TRP . 0.6 OUTLIER 48.21 -167.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.748 . . . . 0.0 109.992 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.531 HD13 ' CE3' ' A' ' 92' ' ' TRP . 43.8 tp -97.01 -69.93 0.74 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 70.55 61.54 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.709 HD23 HD21 ' A' ' 88' ' ' LEU . 29.8 tp -134.41 146.36 49.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -114.4 154.42 28.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 47' ' ' VAL . 52.7 mt -132.7 155.18 49.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.933 ' HA ' HD21 ' A' ' 81' ' ' LEU . 12.2 pt-20 -156.35 144.92 20.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.06 -143.95 18.28 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.486 1.117 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 38' ' ' VAL . . . 52.62 -166.39 1.22 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.807 HG13 ' N ' ' A' ' 39' ' ' ASP . 1.3 p 36.31 -151.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 0.79 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.807 ' N ' HG13 ' A' ' 38' ' ' VAL . 7.4 p-10 -80.74 51.9 1.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.3 p -97.62 161.12 26.9 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -4.72 15.82 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.869 HG12 ' HG2' ' A' ' 44' ' ' LYS . 78.2 t -90.19 -46.37 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.55 23.37 77.11 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.869 ' HG2' HG12 ' A' ' 42' ' ' VAL . 25.9 pttt -168.76 169.6 9.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 0.785 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.1 t -91.46 128.95 42.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 35' ' ' GLU . 28.0 m -144.66 134.58 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.643 HG13 HD11 ' A' ' 32' ' ' LEU . 38.4 t -58.48 114.81 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.477 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 3.4 t -64.35 -47.71 78.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.024 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.38 146.68 6.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.49 HG23 HG11 ' A' ' 47' ' ' VAL . 55.9 t -108.99 93.31 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -52.03 135.62 30.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.07 -11.8 60.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.303 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -100.47 56.45 0.8 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.575 1.172 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -161.5 -170.19 25.84 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.661 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -86.05 -36.41 19.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.33 -59.97 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 58' ' ' ARG . 12.4 tm-20 -53.68 -52.17 60.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -38.5 -46.31 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.258 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.512 ' CG ' HG12 ' A' ' 24' ' ' ILE . 53.5 t-80 -71.47 -64.98 0.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.572 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.75 -109.36 3.83 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.543 1.152 . . . . 0.0 110.96 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 55.01 -91.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.42 HG22 ' N ' ' A' ' 63' ' ' VAL . 10.7 p -87.56 165.09 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.755 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.42 ' N ' HG22 ' A' ' 62' ' ' VAL . 29.7 m -132.54 -166.15 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.477 ' CD ' ' O ' ' A' ' 48' ' ' SER . 1.4 ttpt -66.74 159.2 28.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.84 -12.09 58.08 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.861 ' HB2' HG21 ' A' ' 103' ' ' VAL . 2.3 p-10 -54.51 167.0 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 0.763 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.683 ' C ' HG23 ' A' ' 103' ' ' VAL . 23.2 mt-10 -118.29 90.1 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.524 HG23 ' O ' ' A' ' 102' ' ' VAL . 0.9 OUTLIER -74.53 137.19 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.764 ' O ' HG22 ' A' ' 76' ' ' VAL . 65.0 mtp -110.03 -40.44 4.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 1.07 ' HB3' ' CG1' ' A' ' 102' ' ' VAL . . . -126.96 171.92 10.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.584 HD12 HG11 ' A' ' 76' ' ' VAL . 74.6 mt -146.21 107.24 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 42.52 32.27 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.483 ' O ' ' CG ' ' A' ' 74' ' ' LYS . . . 90.65 73.58 1.27 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.554 1.159 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.908 ' O ' HG13 ' A' ' 76' ' ' VAL . 0.7 OUTLIER -173.77 102.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.26 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.652 HG23 HG23 ' A' ' 77' ' ' THR . 22.0 mm -51.14 117.56 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.908 HG13 ' O ' ' A' ' 74' ' ' LYS . 8.8 m -121.5 22.38 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.652 HG23 HG23 ' A' ' 75' ' ' ILE . 55.8 p -51.68 -57.8 8.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.426 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.6 40.49 2.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.539 ' CG ' ' HA ' ' A' ' 76' ' ' VAL . 0.3 OUTLIER -85.29 177.99 7.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.432 HG22 ' CA ' ' A' ' 38' ' ' VAL . 2.3 p -115.0 152.56 32.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.415 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.933 HD21 ' HA ' ' A' ' 35' ' ' GLU . 4.4 mt -40.73 -63.14 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -43.93 -65.88 0.45 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -39.13 -69.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.287 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -51.92 -65.76 0.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 81' ' ' LEU . 5.4 mt-10 -37.1 -58.65 0.78 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.05 -63.55 1.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.56 -63.57 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.709 HD21 HD23 ' A' ' 32' ' ' LEU . 59.4 tp -44.48 -57.53 3.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 90' ' ' LYS . 57.3 mm-40 -51.43 -60.11 3.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 89' ' ' GLN . 0.9 OUTLIER -39.59 -52.82 2.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 88' ' ' LEU . . . -47.12 -72.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.695 ' CZ3' HG21 ' A' ' 99' ' ' ILE . 5.3 t-105 -49.46 -49.1 46.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 108.018 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 94' ' ' GLN . 1.5 m120 -44.51 -49.15 10.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 93' ' ' ASN . 21.5 mt-30 -35.78 -56.58 0.69 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 108.68 43.96 1.18 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.405 ' CA ' ' HD3' ' A' ' 26' ' ' LYS . . . -77.91 -174.27 42.28 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -90.32 -43.88 10.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 0.734 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -142.23 174.06 10.95 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.695 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 5.3 tt -143.64 133.07 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.591 ' HB3' HD11 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -88.94 126.53 35.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.732 HD12 HD12 ' A' ' 24' ' ' ILE . 39.8 mt -114.32 122.88 48.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 1.07 ' CG1' ' HB3' ' A' ' 70' ' ' ALA . 0.2 OUTLIER -108.66 124.33 65.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.861 HG21 ' HB2' ' A' ' 66' ' ' ASP . 0.8 OUTLIER -153.98 144.57 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.451 ' O ' HG22 ' A' ' 103' ' ' VAL . . . -70.52 169.56 13.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.549 HG23 ' HG3' ' A' ' 20' ' ' ARG . 38.8 t -84.24 155.78 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -161.32 115.34 1.29 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 108.29 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 173.12 15.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.442 1.759 . . . . 0.0 110.941 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 108.73 2.79 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.486 1.782 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 110' ' ' GLU . 40.2 pttt -167.25 -47.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 109' ' ' LYS . 3.7 tp10 63.73 115.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -114.6 126.22 54.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 177.82 104.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.3 t70 178.12 148.29 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -147.59 84.15 1.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.281 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.432 HD23 ' H ' ' A' ' 117' ' ' PHE . 0.2 OUTLIER 67.86 122.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.9 t -66.11 -12.17 53.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.372 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.432 ' H ' HD23 ' A' ' 115' ' ' LEU . 2.6 m-85 50.23 75.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 111.019 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.993 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 t -166.11 87.95 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 0.738 . . . . 0.0 110.078 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.44 162.11 28.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.12 82.41 0.35 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 40.5 69.86 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.483 ' HB1' HD12 ' A' ' 14' ' ' ILE . . . -131.31 44.09 2.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.2 p -122.35 -41.65 2.39 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.543 1.152 . . . . 0.0 110.416 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -52.02 -52.45 50.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -73.98 157.75 35.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.72 158.44 74.64 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.988 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -18.23 18.88 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.537 1.809 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.22 15.33 26.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.337 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -115.62 -51.8 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.483 HD12 ' HB1' ' A' ' 6' ' ' ALA . 2.3 pt -69.66 -43.36 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.56 125.59 13.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.93 -49.14 1.04 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -67.27 -177.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.754 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -133.63 85.96 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.328 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.2 t -90.29 132.48 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.493 ' HG3' HG23 ' A' ' 105' ' ' VAL . 4.3 mtp180 -125.04 121.04 33.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 22' ' ' LEU . 9.6 tp -85.87 122.65 30.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.453 ' N ' HD12 ' A' ' 21' ' ' LEU . 13.6 mt -116.2 117.13 29.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.565 ' HD2' ' CE3' ' A' ' 98' ' ' TRP . 0.0 OUTLIER -93.94 120.04 33.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.656 HD12 HD12 ' A' ' 101' ' ' LEU . 85.0 mt -102.62 143.07 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.6 tttm -88.7 145.59 25.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.602 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 0.4 OUTLIER -88.13 92.15 9.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -132.33 125.86 31.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.51 -69.44 0.71 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 m -179.36 170.15 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 109.944 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.514 HD21 HD21 ' A' ' 88' ' ' LEU . 55.5 tp -78.54 -74.59 0.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 60.4 73.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 tp -137.27 131.1 31.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.56 142.28 27.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.521 HD23 ' HA ' ' A' ' 47' ' ' VAL . 28.1 mt -127.62 155.93 43.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.351 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.767 ' HA ' HD21 ' A' ' 81' ' ' LEU . 11.8 pt-20 -151.73 157.05 41.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.484 ' CA ' HG11 ' A' ' 42' ' ' VAL . . . 100.39 -150.0 18.77 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.137 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.733 ' O ' HG12 ' A' ' 38' ' ' VAL . . . 65.17 177.59 6.36 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.849 HG22 ' H ' ' A' ' 39' ' ' ASP . 3.6 p 50.38 -161.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 0.736 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.849 ' H ' HG22 ' A' ' 38' ' ' VAL . 0.8 OUTLIER -69.83 57.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.465 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 43.1 p -98.03 161.25 26.19 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.012 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.465 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.5 Cg_endo -74.93 -1.3 11.02 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.465 1.771 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.808 HG22 ' HG3' ' A' ' 44' ' ' LYS . 1.5 p -94.03 -43.39 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.71 -9.54 76.8 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.528 1.143 . . . . 0.0 110.97 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.808 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -143.95 -175.57 4.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 76.2 t -100.57 140.96 18.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.549 HG12 ' NZ ' ' A' ' 44' ' ' LYS . 10.4 m -146.39 133.82 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.077 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.521 ' HA ' HD23 ' A' ' 34' ' ' LEU . 77.8 t -58.72 124.97 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.504 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 34.3 t -79.38 -48.41 14.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -168.83 136.21 1.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.618 HG23 ' HB3' ' A' ' 56' ' ' ALA . 2.5 p -105.42 95.33 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.421 ' C ' ' O ' ' A' ' 50' ' ' VAL . 7.9 m-30 -35.78 126.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -76.23 108.27 9.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 136.74 -31.56 2.55 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.469 1.105 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -58.81 -156.92 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.488 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -91.39 -33.17 15.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.618 ' HB3' HG23 ' A' ' 50' ' ' VAL . . . -59.7 -53.93 52.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.352 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -48.34 80.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -46.82 -42.08 16.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -54.19 -53.43 53.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.617 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.03 76.33 0.47 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -132.82 -66.59 0.08 OUTLIER Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.656 HG11 ' CG ' ' A' ' 66' ' ' ASP . 38.4 t -129.96 156.78 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 0.782 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.2 m -102.83 179.39 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.085 . . . . 0.0 109.265 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.504 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -55.86 160.44 2.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 66' ' ' ASP . . . 95.17 -24.5 28.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.656 ' CG ' HG11 ' A' ' 62' ' ' VAL . 6.3 t0 -39.89 156.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.483 ' HB2' ' HB3' ' A' ' 104' ' ' ALA . 6.2 mt-10 -93.74 97.86 10.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.3 mm -78.49 160.07 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.54 ' O ' HG22 ' A' ' 76' ' ' VAL . 13.1 mtm -155.9 -52.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.614 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -130.54 141.32 50.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.812 HD13 ' HB2' ' A' ' 88' ' ' LEU . 51.6 mt -118.09 110.06 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.776 HD22 ' HB1' ' A' ' 91' ' ' ALA . 1.2 m-20 55.64 27.65 10.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 109.52 -53.32 0.59 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.99 122.72 7.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.779 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.706 HG23 HG23 ' A' ' 77' ' ' THR . 21.7 mt -70.67 132.39 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.54 HG22 ' O ' ' A' ' 69' ' ' MET . 18.5 m -122.04 22.7 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.706 HG23 HG23 ' A' ' 75' ' ' ILE . 13.0 p -51.4 -84.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.383 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -89.28 42.89 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.556 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -95.62 153.94 17.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.991 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.504 HG22 HG23 ' A' ' 38' ' ' VAL . 3.6 p -90.97 152.71 20.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.399 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.767 HD21 ' HA ' ' A' ' 35' ' ' GLU . 2.9 mt -39.86 -64.85 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.75 -50.98 9.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.556 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -48.77 -69.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -56.94 -64.31 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 84' ' ' ALA . 5.3 mt-10 -36.38 -54.96 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.07 -55.24 17.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -43.9 -65.49 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.812 ' HB2' HD13 ' A' ' 71' ' ' ILE . 15.3 tp -44.13 -54.84 5.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -49.45 -63.21 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -40.04 -59.59 1.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.776 ' HB1' HD22 ' A' ' 72' ' ' ASN . . . -43.41 -53.55 5.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.602 ' CZ2' ' HA ' ' A' ' 26' ' ' LYS . 22.4 t-105 -61.0 -51.73 68.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 108.005 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 94' ' ' GLN . 10.1 m120 -49.37 -49.59 43.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 93' ' ' ASN . 11.1 mt-30 -38.39 -33.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 115.62 -91.9 0.57 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 50.87 175.8 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -97.29 -44.16 7.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.565 ' CE3' ' HD2' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -142.17 167.74 21.39 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.438 HG21 ' CE3' ' A' ' 92' ' ' TRP . 2.3 tt -129.31 136.63 59.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.449 ' OD1' HD11 ' A' ' 21' ' ' LEU . 1.1 m-20 -95.91 112.98 24.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.656 HD12 HD12 ' A' ' 24' ' ' ILE . 96.4 mt -102.35 117.72 35.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.614 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 98.6 t -85.53 98.55 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.37 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.57 HG11 ' CG ' ' A' ' 66' ' ' ASP . 1.3 t -126.71 154.97 37.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.483 ' HB3' ' HB2' ' A' ' 67' ' ' GLU . . . -105.14 163.96 12.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.493 HG23 ' HG3' ' A' ' 20' ' ' ARG . 76.1 t -84.35 152.7 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -144.61 135.03 12.0 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 108.334 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 18.2 Cg_endo -74.96 155.01 43.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.565 1.824 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.3 Cg_endo -75.05 131.82 14.66 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.79 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.6 pttm -164.81 -55.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 66.02 112.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -157.94 104.92 1.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.7 p-10 -136.7 170.32 16.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 178.25 -37.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 70.69 -59.48 0.53 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.745 HD23 ' O ' ' A' ' 115' ' ' LEU . 1.7 tt 66.04 46.13 2.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 18.2 p -142.3 119.05 11.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.4 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -37.7 -34.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 49.44 82.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.754 . . . . 0.0 110.0 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -102.25 143.86 31.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.34 -73.37 1.16 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.517 1.136 . . . . 0.0 110.974 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.537 ' O ' ' HB2' ' A' ' 6' ' ' ALA . . . -115.51 177.51 4.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . 173.59 -55.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.17 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 41.7 p -57.97 -55.73 31.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.383 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.428 ' O ' HD11 ' A' ' 75' ' ' ILE . 4.7 ttp -39.58 -46.57 1.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -86.03 -179.51 6.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.13 167.63 14.65 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.979 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -34.64 3.68 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.536 1.809 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -88.6 20.26 3.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -118.44 -57.02 2.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.276 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.495 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 2.5 pt -67.75 -53.12 33.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 52.41 -134.09 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.2 22.53 25.85 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.128 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 23.9 mtpp -73.23 148.28 43.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 0.737 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.89 89.43 3.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.483 HG11 ' HE1' ' A' ' 69' ' ' MET . 16.2 m -98.7 156.98 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.501 ' HG3' HG23 ' A' ' 105' ' ' VAL . 39.5 mtm180 -124.83 130.11 51.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.605 HD12 ' N ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -88.35 111.08 21.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.647 HD12 HG23 ' A' ' 62' ' ' VAL . 82.2 mt -105.35 155.03 19.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.73 122.99 37.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.935 HD12 HD12 ' A' ' 101' ' ' LEU . 6.4 mt -99.8 155.48 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.5 tttt -91.96 143.9 26.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.449 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 8.6 mttt -89.3 80.94 6.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -126.49 126.12 43.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 41.49 75.51 0.13 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 46.08 -169.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.771 . . . . 0.0 109.973 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.763 HD21 HD21 ' A' ' 88' ' ' LEU . 2.9 tp -116.44 -47.84 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 54.43 72.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.488 HD13 ' CB ' ' A' ' 56' ' ' ALA . 6.0 tp -126.97 151.87 47.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.421 ' O ' HD23 ' A' ' 34' ' ' LEU . . . -114.6 143.48 44.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.601 HD23 ' HA ' ' A' ' 47' ' ' VAL . 51.9 mt -128.16 159.71 34.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.814 ' CA ' HD21 ' A' ' 81' ' ' LEU . 10.7 pt-20 -155.98 165.37 36.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 37' ' ' GLY . . . 104.23 -124.58 8.09 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.456 1.098 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.457 ' C ' ' CG2' ' A' ' 38' ' ' VAL . . . 47.05 -175.44 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.664 HG13 HG22 ' A' ' 80' ' ' THR . 0.3 OUTLIER 41.68 -164.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 0.751 . . . . 0.0 109.292 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -70.29 56.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.456 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 67.8 p -89.76 160.22 41.73 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 110.024 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.456 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.3 Cg_endo -74.98 -2.13 12.14 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.78 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.922 HG12 ' HG3' ' A' ' 44' ' ' LYS . 54.8 t -93.66 -54.36 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.39 28.94 34.6 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.922 ' HG3' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -177.8 167.68 2.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 0.77 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.414 HG12 ' HB ' ' A' ' 68' ' ' ILE . 95.8 t -84.09 135.58 24.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.477 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 19.6 m -146.38 133.71 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.601 ' HA ' HD23 ' A' ' 34' ' ' LEU . 73.5 t -60.77 112.3 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.4 t -66.34 -48.0 71.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.985 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.6 147.26 6.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.867 HG23 ' HB3' ' A' ' 56' ' ' ALA . 1.5 p -112.7 92.24 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -45.99 119.92 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 111.021 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -49.43 -22.7 1.24 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.68 51.28 2.32 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -147.06 -169.25 14.44 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.6 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -91.42 -38.94 12.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 0.804 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.867 ' HB3' HG23 ' A' ' 50' ' ' VAL . . . -47.32 -47.61 25.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -56.14 -54.81 40.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.2 mtt-85 -50.34 -38.81 43.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.509 ' CE1' ' HA3' ' A' ' 61' ' ' GLY . 15.2 t-80 -62.09 -64.34 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.615 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.08 -43.52 3.06 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.509 ' HA3' ' CE1' ' A' ' 59' ' ' HIS . . . -37.83 -48.2 1.87 Allowed Glycine 0 CA--C 1.531 1.043 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.736 HG22 ' OD2' ' A' ' 66' ' ' ASP . 3.3 t -112.57 141.59 27.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 0.78 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.4 m -137.47 -162.76 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -76.38 143.35 40.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.27 -29.41 11.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.924 ' HB3' HG11 ' A' ' 103' ' ' VAL . 0.7 OUTLIER -40.83 141.89 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 0.801 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.837 ' C ' HG13 ' A' ' 103' ' ' VAL . 4.1 mt-10 -87.01 86.69 7.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.663 HD13 HG22 ' A' ' 103' ' ' VAL . 22.7 mm -63.45 148.48 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.715 ' O ' HG22 ' A' ' 76' ' ' VAL . 22.0 mtm -144.39 -47.02 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.418 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -131.11 155.13 47.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.746 HD13 ' HB2' ' A' ' 88' ' ' LEU . 40.3 mt -131.82 107.47 13.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 59.25 24.19 12.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 112.18 -55.87 0.49 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.22 121.77 3.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.77 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.639 HG23 HG23 ' A' ' 77' ' ' THR . 17.2 mt -68.56 130.79 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.715 HG22 ' O ' ' A' ' 69' ' ' MET . 13.7 m -123.38 23.41 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.639 HG23 HG23 ' A' ' 75' ' ' ILE . 25.0 p -55.76 -55.05 36.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 110.39 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.34 35.59 2.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.62 ' CD2' HG12 ' A' ' 76' ' ' VAL . 0.4 OUTLIER -94.22 146.72 23.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.664 HG22 HG13 ' A' ' 38' ' ' VAL . 1.1 p -88.96 155.09 19.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.422 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.814 HD21 ' CA ' ' A' ' 35' ' ' GLU . 9.8 mt -41.09 -63.89 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.88 -50.13 19.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.79 -69.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -56.56 -62.81 1.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 81' ' ' LEU . 7.3 mt-10 -37.78 -45.32 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.4 -58.33 3.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -42.38 -63.25 0.79 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.085 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.763 HD21 HD21 ' A' ' 30' ' ' LEU . 24.2 tp -43.69 -54.06 5.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -47.25 -65.54 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 89' ' ' GLN . 30.1 mttt -39.47 -62.21 0.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' A' ' 94' ' ' GLN . . . -40.96 -62.52 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.6 ' CH2' ' HB3' ' A' ' 55' ' ' ALA . 8.3 t-105 -54.05 -51.38 64.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 108.032 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 94' ' ' GLN . 1.6 m120 -47.83 -52.68 18.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 93' ' ' ASN . 13.3 mt-30 -34.64 -52.65 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.415 ' O ' ' CD ' ' A' ' 26' ' ' LYS . . . 137.1 -102.79 0.4 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 58.84 174.57 0.57 Allowed Glycine 0 CA--C 1.529 0.969 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -97.95 -43.38 7.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 0.745 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -140.25 158.71 43.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 108.012 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.52 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 2.0 tt -117.41 159.06 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.617 ' O ' HD23 ' A' ' 101' ' ' LEU . 2.8 m-20 -112.54 137.26 51.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.935 HD12 HD12 ' A' ' 24' ' ' ILE . 39.3 mt -139.24 135.39 33.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.418 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 45.6 t -109.58 117.46 54.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.924 HG11 ' HB3' ' A' ' 66' ' ' ASP . 6.9 t -134.46 149.7 30.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.75 154.4 23.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.501 HG23 ' HG3' ' A' ' 20' ' ' ARG . 4.1 t -70.03 156.33 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -156.4 118.44 2.22 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 108.296 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.01 148.56 35.39 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.46 1.769 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.1 Cg_endo -75.02 172.2 16.83 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.489 1.783 . . . . 0.0 110.968 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt 70.71 -62.5 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 66.15 117.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -134.69 111.19 9.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.959 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -135.56 -53.65 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.05 168.7 10.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.103 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -142.04 86.52 1.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.331 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 116' ' ' THR . 1.3 pt? -131.57 -134.12 0.2 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 115' ' ' LEU . 2.7 p 37.48 84.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.361 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.95 -42.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 53.5 p90 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m 63.26 123.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.027 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 63.64 167.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.263 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.4 -151.92 8.99 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.751 ' HB1' ' HE1' ' A' ' 8' ' ' MET . . . -110.36 77.59 1.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 0.778 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -120.46 64.64 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.7 p -145.51 -53.64 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 110.397 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.751 ' HE1' ' HB1' ' A' ' 5' ' ' ALA . 16.9 mtm -42.7 -50.02 5.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.624 ' CZ ' ' SD ' ' A' ' 69' ' ' MET . 23.5 m-85 -66.83 -160.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.76 169.06 11.05 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -10.73 21.26 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.797 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.4 16.84 21.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 14' ' ' ILE . 8.2 tp60 -120.57 -49.91 2.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.402 ' N ' ' HG3' ' A' ' 13' ' ' GLN . 1.1 pt -73.76 -45.7 49.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -42.37 121.9 2.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.79 -50.19 0.98 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -69.92 172.55 7.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 109.235 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.91 86.31 2.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.363 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 62.5 t -80.14 142.5 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -135.96 130.31 33.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.498 HD12 ' N ' ' A' ' 22' ' ' LEU . 3.5 tp -91.46 114.59 27.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.498 ' N ' HD12 ' A' ' 21' ' ' LEU . 36.9 mt -111.76 103.99 12.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.439 ' CZ ' ' OD1' ' A' ' 100' ' ' ASP . 0.6 OUTLIER -83.73 117.74 23.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.32 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.964 HD12 ' CD1' ' A' ' 101' ' ' LEU . 11.9 mt -95.52 155.06 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -92.18 148.31 22.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.6 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 4.0 mttp -98.28 84.05 3.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.91 120.51 29.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.24 -67.05 3.36 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.444 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 3.3 m -177.38 -175.41 0.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.611 HD13 ' CZ3' ' A' ' 92' ' ' TRP . 58.4 tp -90.29 -79.2 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.425 ' HB3' ' CD2' ' A' ' 51' ' ' TYR . 0.8 OUTLIER 68.72 64.87 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.728 ' CD1' HG22 ' A' ' 50' ' ' VAL . 18.8 tp -131.32 130.6 42.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.35 152.83 20.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.247 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.598 HD23 ' HA ' ' A' ' 47' ' ' VAL . 72.1 mt -131.72 160.99 33.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.902 ' HA ' HD21 ' A' ' 81' ' ' LEU . 12.0 pt-20 -153.18 139.24 18.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.461 ' HA2' ' CB ' ' A' ' 40' ' ' SER . . . 93.42 -143.3 16.42 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.504 1.127 . . . . 0.0 110.979 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . 86.04 -71.8 2.79 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.827 HG23 HG22 ' A' ' 80' ' ' THR . 2.8 p -59.96 -149.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 0.77 . . . . 0.0 109.347 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.734 ' N ' HG13 ' A' ' 38' ' ' VAL . 53.3 p-10 -79.86 51.29 1.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.536 ' CB ' ' CD ' ' A' ' 41' ' ' PRO . 0.7 OUTLIER -89.88 179.9 1.4 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.995 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.536 ' CD ' ' CB ' ' A' ' 40' ' ' SER . 18.4 Cg_endo -74.98 -4.6 15.64 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.529 1.805 . . . . 0.0 111.044 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.717 HG12 ' HG3' ' A' ' 44' ' ' LYS . 7.8 t -101.28 -58.79 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.66 12.1 64.96 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.717 ' HG3' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -145.59 174.22 11.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 0.798 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.9 t -99.26 114.61 37.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.44 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 21.9 m -127.37 135.19 64.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.598 ' HA ' HD23 ' A' ' 34' ' ' LEU . 23.5 t -57.79 115.69 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.508 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 6.2 t -67.73 -45.03 76.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.022 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.67 146.97 5.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.728 HG22 ' CD1' ' A' ' 32' ' ' LEU . 25.4 t -110.0 90.26 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.425 ' CD2' ' HB3' ' A' ' 31' ' ' ASP . 4.1 m-30 -40.11 124.04 1.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 16.1 pt-20 -78.87 53.32 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.363 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -157.5 -39.44 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.35 -161.35 0.48 Allowed Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.612 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -86.05 -34.39 20.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 0.768 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -44.88 -59.76 2.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -52.23 -53.37 44.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.263 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -39.3 -57.75 1.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.462 ' CG ' HG12 ' A' ' 24' ' ' ILE . 9.4 t-80 -41.81 -50.22 4.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.597 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.83 66.21 2.7 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -138.06 -80.46 0.08 OUTLIER Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.447 HG22 ' HB3' ' A' ' 66' ' ' ASP . 9.9 p -87.25 140.72 15.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.483 0.755 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.0 m -114.73 -173.5 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.508 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.4 OUTLIER -70.2 143.69 52.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.16 -3.57 62.04 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.447 ' HB3' HG22 ' A' ' 62' ' ' VAL . 41.2 p-10 -56.75 -165.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 0.766 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -134.45 77.41 1.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.404 HD11 ' OD2' ' A' ' 66' ' ' ASP . 1.6 mm -70.8 109.44 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.698 ' HG2' HG12 ' A' ' 102' ' ' VAL . 6.2 ptm -95.31 -34.75 12.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.965 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.725 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -137.59 175.73 9.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 1.036 HD12 HG11 ' A' ' 76' ' ' VAL . 83.4 mt -144.28 107.34 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.603 HD22 ' HB1' ' A' ' 91' ' ' ALA . 1.3 t-20 53.1 22.75 2.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.404 ' O ' ' SD ' ' A' ' 8' ' ' MET . . . 114.37 -59.45 0.4 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.434 ' O ' HG13 ' A' ' 76' ' ' VAL . 6.5 mttp -45.2 112.58 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 0.733 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.829 HG23 HG23 ' A' ' 77' ' ' THR . 32.9 mt -60.68 133.22 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.036 HG11 HD12 ' A' ' 71' ' ' ILE . 14.5 m -123.81 23.08 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.829 HG23 HG23 ' A' ' 75' ' ' ILE . 81.3 p -65.27 -21.31 66.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.417 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.5 p30 -132.89 28.92 4.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.524 ' CD2' HG12 ' A' ' 76' ' ' VAL . 0.7 OUTLIER -95.56 141.71 28.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.105 . . . . 0.0 110.948 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.827 HG22 HG23 ' A' ' 38' ' ' VAL . 5.3 p -85.11 156.94 20.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 110.389 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.902 HD21 ' HA ' ' A' ' 35' ' ' GLU . 4.3 mt -39.64 -63.63 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.28 -59.15 3.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.095 . . . . 0.0 109.323 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -43.06 -68.22 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.333 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -54.59 -65.12 0.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 84' ' ' ALA . 6.9 mt-10 -37.37 -46.88 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.02 -57.53 4.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 88' ' ' LEU . . . -42.58 -65.81 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.467 ' HG ' ' CD2' ' A' ' 30' ' ' LEU . 10.9 tp -40.38 -58.43 1.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' TRP . 11.7 mm100 -49.32 -58.39 5.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -40.23 -57.38 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.603 ' HB1' HD22 ' A' ' 72' ' ' ASN . . . -47.84 -43.19 27.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.612 ' CH2' ' HB3' ' A' ' 55' ' ' ALA . 10.3 t-105 -69.07 -46.18 68.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 108.007 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 94' ' ' GLN . 5.2 m-80 -56.99 -44.84 83.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 93' ' ' ASN . 20.5 mt-30 -37.85 -59.8 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.401 ' O ' ' HD3' ' A' ' 26' ' ' LYS . . . 143.33 -104.56 0.35 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 54.83 171.94 0.07 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.543 ' HB3' ' CD2' ' A' ' 98' ' ' TRP . 0.8 OUTLIER -90.19 -43.94 10.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.755 . . . . 0.0 109.309 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.543 ' CD2' ' HB3' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -136.52 175.32 9.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 107.975 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.45 ' HB ' ' NZ ' ' A' ' 26' ' ' LYS . 5.3 tt -130.58 154.94 41.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.439 ' OD1' ' CZ ' ' A' ' 23' ' ' ARG . 13.1 m-20 -110.63 133.42 53.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.964 ' CD1' HD12 ' A' ' 24' ' ' ILE . 12.1 mt -126.3 133.58 51.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.725 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 78.8 t -106.91 120.64 58.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -151.07 148.07 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.57 174.5 5.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.8 t -69.23 157.02 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' CYS . . . . . 0.569 ' CB ' ' HD3' ' A' ' 107' ' ' PRO . 0.1 OUTLIER -174.15 -61.52 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 108.353 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.569 ' HD3' ' CB ' ' A' ' 106' ' ' CYS . 18.3 Cg_endo -74.99 144.95 30.87 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.439 1.758 . . . . 0.0 110.978 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.4 Cg_endo -74.98 178.55 7.11 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.87 -38.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -134.61 -140.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.33 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.404 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 0.1 OUTLIER 57.18 178.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 111.04 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.404 ' CB ' ' O ' ' A' ' 111' ' ' TYR . 2.0 t0 75.87 -67.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -122.63 119.96 32.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -108.1 40.01 1.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.402 ' O ' ' HB ' ' A' ' 116' ' ' THR . 1.1 tp -92.51 -12.2 32.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 115' ' ' LEU . 11.4 t -175.1 142.39 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.376 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -42.74 -40.84 2.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.493 ' O ' ' CG ' ' A' ' 118' ' ' PHE . 10.2 p90 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.1 t -167.06 157.08 11.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 0.777 . . . . 0.0 110.036 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -136.54 -72.37 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.344 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.57 152.56 9.29 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.469 1.106 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.25 74.37 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.769 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -112.04 0.5 15.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.0 p -92.49 11.14 27.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.39 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.21 -30.56 7.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -98.89 131.87 44.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.1 160.65 0.65 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.033 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -19.49 17.9 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.516 1.798 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -98.94 14.73 28.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 -112.42 -55.26 2.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.6 pt -65.06 -56.33 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 40.55 77.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.26 -42.19 3.13 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -40.37 107.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -83.17 101.9 11.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.516 ' CG1' ' CG1' ' A' ' 102' ' ' VAL . 99.6 t -78.56 134.29 28.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.49 ' HG3' HG23 ' A' ' 105' ' ' VAL . 1.3 mtt180 -126.19 123.66 38.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.2 tp -92.19 103.7 16.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.662 ' CD1' HG23 ' A' ' 62' ' ' VAL . 58.8 mt -94.95 137.26 34.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.568 ' CZ ' ' CE3' ' A' ' 98' ' ' TRP . 0.0 OUTLIER -106.36 116.94 32.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.893 HD12 ' CD1' ' A' ' 101' ' ' LEU . 50.7 mt -100.61 152.66 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 ttmm -81.46 139.03 35.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.58 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 9.9 mttt -89.91 82.2 6.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.924 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 2.0 tp10 -129.91 135.58 48.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 43.47 63.46 2.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.503 ' O ' ' CZ2' ' A' ' 92' ' ' TRP . 0.2 OUTLIER 53.26 -161.01 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.759 . . . . 0.0 109.993 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.767 HD13 ' CZ3' ' A' ' 92' ' ' TRP . 45.5 tp -100.46 -69.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 70.0 74.44 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.909 ' CD1' HG22 ' A' ' 50' ' ' VAL . 4.2 tp -147.06 136.29 22.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.411 ' O ' HD23 ' A' ' 34' ' ' LEU . . . -94.86 146.06 24.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' ' 33' ' ' ALA . 28.7 mt -128.02 155.91 43.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.797 ' HA ' HD21 ' A' ' 81' ' ' LEU . 18.9 pt-20 -155.89 149.09 24.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.525 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . 106.04 -147.32 16.22 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . 67.39 -169.4 36.79 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.803 HG13 ' N ' ' A' ' 39' ' ' ASP . 1.5 p 36.53 -150.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 0.0 109.263 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.803 ' N ' HG13 ' A' ' 38' ' ' VAL . 2.2 m-20 -77.57 54.79 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 82.4 p -91.44 160.0 37.81 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.986 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.2 Cg_endo -75.05 -1.82 11.74 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.78 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.901 HG22 ' HG3' ' A' ' 44' ' ' LYS . 2.4 p -94.34 -41.35 12.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.7 -0.01 89.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.901 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -150.12 170.45 18.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 38.3 t -88.62 138.22 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.509 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 12.1 m -146.57 134.45 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.716 ' CG1' HD11 ' A' ' 32' ' ' LEU . 63.6 t -63.46 120.02 9.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.441 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 21.7 t -69.25 -49.76 53.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.06 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.56 150.39 7.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.251 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.909 HG22 ' CD1' ' A' ' 32' ' ' LEU . 78.3 t -108.8 99.73 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -49.51 108.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -47.36 -25.15 0.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.49 65.1 1.83 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -165.97 -175.95 36.86 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.924 ' HB2' ' O ' ' A' ' 27' ' ' GLU . . . -82.78 -29.39 29.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 0.756 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.27 -51.62 63.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 58' ' ' ARG . 7.9 tm-20 -56.82 -53.35 58.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 57' ' ' GLU . 6.8 mtp85 -37.21 -52.27 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.453 ' CG ' HG12 ' A' ' 24' ' ' ILE . 22.8 t-80 -56.07 -64.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.571 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.09 -34.36 4.31 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.1 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -40.2 -62.8 1.45 Allowed Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.666 HG22 ' OD2' ' A' ' 66' ' ' ASP . 3.0 t -89.9 137.52 21.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.1 m -127.18 -156.74 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.441 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.1 OUTLIER -88.06 135.26 33.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.57 -23.4 32.93 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.914 ' HB3' HG11 ' A' ' 103' ' ' VAL . 0.5 OUTLIER -41.75 136.15 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 0.733 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.753 ' C ' HG13 ' A' ' 103' ' ' VAL . 12.7 tt0 -78.31 96.78 5.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 110.238 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.696 HD13 HG22 ' A' ' 103' ' ' VAL . 12.0 mm -78.58 140.04 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.66 ' O ' HG22 ' A' ' 76' ' ' VAL . 38.5 mtm -143.04 -48.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.653 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -126.49 142.29 51.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.834 HD13 ' HB2' ' A' ' 88' ' ' LEU . 93.1 mt -127.48 115.38 39.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.507 ' ND2' ' HB1' ' A' ' 91' ' ' ALA . 3.1 m120 59.93 16.22 5.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.252 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 109.95 -33.03 6.26 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.44 1.088 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -59.39 138.78 57.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.769 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.759 HG23 HG23 ' A' ' 77' ' ' THR . 19.7 mm -79.88 118.94 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 69' ' ' MET . 14.5 m -123.76 23.05 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.759 HG23 HG23 ' A' ' 75' ' ' ILE . 70.4 p -56.3 -58.84 6.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -105.16 42.08 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.534 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -94.77 144.87 25.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.608 HG22 HG23 ' A' ' 38' ' ' VAL . 3.1 p -83.46 156.19 23.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.405 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.797 HD21 ' HA ' ' A' ' 35' ' ' GLU . 3.0 mt -39.54 -63.17 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.29 -65.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.534 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 11.3 mt-10 -39.35 -69.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.23 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -51.66 -65.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 84' ' ' ALA . 5.9 mt-10 -36.89 -58.31 0.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 87' ' ' ALA . . . -61.18 -64.83 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 86' ' ' ALA . . . -39.57 -65.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.834 ' HB2' HD13 ' A' ' 71' ' ' ILE . 14.8 tp -40.52 -53.37 2.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 92' ' ' TRP . 13.0 mm100 -58.66 -58.89 6.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -39.84 -54.53 2.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.507 ' HB1' ' ND2' ' A' ' 72' ' ' ASN . . . -49.68 -45.47 48.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.873 ' CZ3' HG21 ' A' ' 99' ' ' ILE . 8.2 t-105 -68.46 -48.69 63.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 108.004 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 94' ' ' GLN . 4.0 m120 -45.75 -41.43 10.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 93' ' ' ASN . 30.8 mt-30 -35.91 -47.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.46 104.07 1.23 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.465 ' CA ' ' HD3' ' A' ' 26' ' ' LYS . . . -147.58 -162.87 10.29 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -95.98 -43.83 7.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.568 ' CE3' ' CZ ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -142.14 145.62 34.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 107.997 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.873 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 8.3 tt -110.7 152.72 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -100.28 138.66 37.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.893 ' CD1' HD12 ' A' ' 24' ' ' ILE . 11.0 mt -142.82 118.23 10.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.653 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 94.7 t -95.76 129.76 45.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.914 HG11 ' HB3' ' A' ' 66' ' ' ASP . 43.0 t -150.25 147.7 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.642 ' HB3' ' HB3' ' A' ' 67' ' ' GLU . . . -85.5 151.32 24.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.49 HG23 ' HG3' ' A' ' 20' ' ' ARG . 31.1 t -71.94 152.22 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.8 t -142.0 121.02 7.84 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 108.316 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 171.95 17.33 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.495 1.787 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 118.92 5.41 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.515 1.797 . . . . 0.0 110.969 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.94 -48.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 38.95 51.43 1.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -112.83 140.47 47.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 111.042 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -79.29 146.44 32.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 33.0 p-10 179.55 115.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -110.83 -29.5 7.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.616 HD23 ' H ' ' A' ' 116' ' ' THR . 0.2 OUTLIER -141.24 -140.74 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.165 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.616 ' H ' HD23 ' A' ' 115' ' ' LEU . 2.2 t -156.67 -45.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 110.409 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.609 ' H ' HD23 ' A' ' 115' ' ' LEU . 5.3 m-85 -66.7 -64.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.32 -59.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.975 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.49 118.15 13.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.283 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.44 139.97 3.98 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.56 -62.38 1.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 0.0 109.26 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -47.94 -56.95 6.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.6 p -39.38 -55.74 1.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -40.88 -42.06 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -93.14 176.41 6.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.72 157.51 46.41 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.941 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -12.93 21.47 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.533 1.807 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -105.98 14.57 27.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -116.55 -53.98 2.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.281 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.2 pt -66.32 -35.34 74.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.14 124.37 7.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.88 -37.78 3.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -69.67 169.55 12.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.787 . . . . 0.0 109.299 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.416 ' O ' ' HA ' ' A' ' 104' ' ' ALA . 25.1 m-20 -126.02 90.97 3.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -112.42 122.39 66.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.408 ' HG3' HG23 ' A' ' 105' ' ' VAL . 0.5 OUTLIER -115.34 159.44 21.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.862 HD11 ' CG ' ' A' ' 100' ' ' ASP . 16.7 tp -120.23 105.78 11.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 mt -102.07 132.71 47.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.461 ' HD3' ' CB ' ' A' ' 98' ' ' TRP . 0.3 OUTLIER -98.01 101.91 13.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.294 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.7 ' CD1' HD12 ' A' ' 101' ' ' LEU . 10.6 mt -85.49 155.12 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -96.01 141.44 29.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.422 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 22.7 mttt -88.64 74.69 8.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -125.36 149.64 47.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 110.302 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.05 -80.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 27' ' ' GLU . 3.4 m 179.67 161.44 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 0.733 . . . . 0.0 110.024 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.691 HD21 HD11 ' A' ' 88' ' ' LEU . 39.2 tp -73.11 -77.84 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 68.36 59.34 0.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.504 HD23 HD21 ' A' ' 88' ' ' LEU . 9.1 tp -124.43 128.68 49.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.427 ' O ' HD23 ' A' ' 34' ' ' LEU . . . -93.1 151.82 19.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 47' ' ' VAL . 23.5 mt -131.3 156.66 45.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.858 ' HA ' HD21 ' A' ' 81' ' ' LEU . 12.5 pt-20 -153.57 161.78 41.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 110.326 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.695 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . 93.05 -130.8 10.49 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.655 ' O ' HG12 ' A' ' 38' ' ' VAL . . . 52.49 174.55 0.04 OUTLIER Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.714 HG13 ' N ' ' A' ' 39' ' ' ASP . 2.0 p 48.31 -154.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 0.729 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.714 ' N ' HG13 ' A' ' 38' ' ' VAL . 4.5 t0 -70.13 56.55 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.54 ' HB2' HG12 ' A' ' 42' ' ' VAL . 13.0 p -96.41 159.93 30.78 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.2 Cg_endo -75.03 -3.87 14.56 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.868 HG22 ' HG3' ' A' ' 44' ' ' LYS . 1.6 p -91.1 -38.71 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.02 -0.81 86.71 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.488 1.118 . . . . 0.0 111.039 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.868 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -149.88 -175.22 4.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 109.294 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.5 t -98.63 138.02 24.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.485 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 4.9 m -146.41 132.46 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.466 ' CG1' HD11 ' A' ' 32' ' ' LEU . 69.1 t -59.51 119.92 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.0 t -70.66 -49.83 43.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.028 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -167.25 148.12 5.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.329 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.62 HG23 ' HB3' ' A' ' 56' ' ' ALA . 3.9 p -122.04 89.73 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -45.3 114.98 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 111.043 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -46.91 -25.16 0.72 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.88 44.01 3.28 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -134.82 -171.02 12.35 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.559 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -90.83 -26.15 19.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 0.797 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.62 ' HB3' HG23 ' A' ' 50' ' ' VAL . . . -59.02 -51.78 68.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.432 1.083 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -64.54 -44.77 89.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -47.34 -31.06 3.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 0.0 110.29 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.516 ' CD2' ' HA ' ' A' ' 24' ' ' ILE . 56.4 t-80 -79.06 -60.38 2.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.596 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.74 136.2 7.05 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 125.13 -46.0 1.12 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.405 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 1.5 p -99.8 119.83 48.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.47 HG23 ' N ' ' A' ' 64' ' ' LYS . 4.5 m -127.86 -157.62 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.47 ' N ' HG23 ' A' ' 63' ' ' VAL . 3.5 ttpt -82.21 149.55 27.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.097 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.1 -15.11 60.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.835 ' HB3' HG21 ' A' ' 103' ' ' VAL . 0.6 OUTLIER -47.31 169.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 0.786 . . . . 0.0 109.326 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.811 ' C ' HG23 ' A' ' 103' ' ' VAL . 46.6 mt-10 -114.72 75.6 0.94 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.7 mm -62.23 134.98 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.58 ' O ' HG22 ' A' ' 76' ' ' VAL . 26.7 mtm -130.83 -43.67 1.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.791 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -136.66 130.28 31.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.832 HD12 HG11 ' A' ' 76' ' ' VAL . 7.8 mt -112.27 107.29 22.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 71' ' ' ILE . 4.2 t-20 81.04 -55.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 170.11 40.09 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.716 ' O ' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -139.83 112.31 7.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 0.767 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.529 HG23 HG23 ' A' ' 77' ' ' THR . 4.7 mt -52.6 125.95 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.832 HG11 HD12 ' A' ' 71' ' ' ILE . 24.5 m -124.22 17.56 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.529 HG23 HG23 ' A' ' 75' ' ' ILE . 32.0 p -59.65 -40.21 86.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.6 37.62 3.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.457 ' CD2' HG12 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -101.6 158.03 16.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.599 HG22 HG23 ' A' ' 38' ' ' VAL . 6.0 p -96.74 156.59 16.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.401 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.858 HD21 ' HA ' ' A' ' 35' ' ' GLU . 5.0 mt -39.44 -63.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.52 -66.31 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.429 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 54.7 mt-10 -38.82 -69.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -51.42 -65.47 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 84' ' ' ALA . 7.8 mt-10 -36.81 -52.2 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.06 -61.05 2.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.42 -48.24 3.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.691 HD11 HD21 ' A' ' 30' ' ' LEU . 4.5 tp -57.32 -54.15 50.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 90' ' ' LYS . 15.4 mt-30 -57.6 -60.9 2.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.14 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 89' ' ' GLN . 4.6 mmtm -37.54 -39.64 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 88' ' ' LEU . . . -61.14 -67.28 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.621 ' CZ3' HD13 ' A' ' 30' ' ' LEU . 8.7 t-105 -54.54 -42.3 70.77 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.485 ' O ' ' C ' ' A' ' 94' ' ' GLN . 3.9 m120 -49.51 -47.06 49.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.087 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.485 ' C ' ' O ' ' A' ' 93' ' ' ASN . 26.1 mt-30 -32.38 -58.72 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 98.63 60.39 0.89 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -99.25 -160.97 29.31 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.535 ' HB3' ' CD2' ' A' ' 98' ' ' TRP . 28.9 m-20 -98.41 -45.14 6.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.535 ' CD2' ' HB3' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -138.01 166.52 23.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 0.0 108.02 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.552 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 8.5 tt -136.53 165.47 28.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.862 ' CG ' HD11 ' A' ' 21' ' ' LEU . 2.6 m-20 -126.87 138.82 53.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.7 HD12 ' CD1' ' A' ' 24' ' ' ILE . 80.5 mt -131.2 112.94 13.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.791 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 53.8 t -90.66 103.32 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.835 HG21 ' HB3' ' A' ' 66' ' ' ASP . 2.0 p -140.4 141.17 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 18' ' ' ASP . . . -77.97 150.82 33.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.408 HG23 ' HG3' ' A' ' 20' ' ' ARG . 58.9 t -72.54 142.61 14.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 49.7 t -175.1 125.96 0.38 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 108.281 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 161.26 38.96 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.455 1.766 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 170.28 20.75 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.464 1.771 . . . . 0.0 110.98 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.85 -46.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 66.93 115.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.31 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -146.2 126.66 14.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -174.91 166.57 3.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -138.52 144.05 39.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -170.87 87.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.743 ' HG ' HG23 ' A' ' 116' ' ' THR . 0.9 OUTLIER -127.11 -133.82 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.743 HG23 ' HG ' ' A' ' 115' ' ' LEU . 75.4 p 37.97 65.89 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.38 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -160.91 -44.57 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 41.9 p90 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -63.26 142.88 58.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 179.8 -59.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.77 147.59 12.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.115 . . . . 0.0 111.031 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -96.4 126.05 41.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 0.759 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 8' ' ' MET . . . -123.13 -139.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 68.45 -60.64 0.42 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 110.39 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -55.36 -41.28 72.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -87.09 153.97 21.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.37 159.11 82.53 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -14.51 21.22 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.475 1.776 . . . . 0.0 111.019 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.45 11.12 32.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -111.68 -41.95 3.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 110.32 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.2 pt -81.27 -32.82 12.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.17 118.93 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.33 -45.82 2.41 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.459 1.099 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.6 mttm -62.57 148.67 45.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 0.772 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.629 ' HB3' HG12 ' A' ' 105' ' ' VAL . 5.2 m-20 -104.13 85.3 2.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.418 HG12 ' H ' ' A' ' 19' ' ' VAL . 0.7 OUTLIER -88.02 117.79 32.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.1 mtp85 -123.62 135.19 53.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.274 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.647 HD11 ' CG ' ' A' ' 100' ' ' ASP . 27.0 tp -95.98 133.42 40.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.566 HD12 HG23 ' A' ' 62' ' ' VAL . 31.9 mt -130.9 141.72 50.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.83 120.68 41.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.695 ' CD1' HD12 ' A' ' 101' ' ' LEU . 19.6 mt -103.49 152.46 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.41 143.91 25.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.577 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 13.1 mttt -89.14 79.71 7.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -130.85 125.1 32.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.12 -78.13 2.03 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.435 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 3.5 m 179.95 173.09 0.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 110.051 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.746 HD13 ' CE3' ' A' ' 92' ' ' TRP . 27.9 tp -87.88 -77.31 0.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 63.13 55.27 1.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.504 HD23 HD21 ' A' ' 88' ' ' LEU . 19.9 tp -117.12 130.91 56.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.148 . . . . 0.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.43 145.7 24.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 76.0 mt -129.62 159.72 35.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.967 ' HA ' HD21 ' A' ' 81' ' ' LEU . 11.3 pt-20 -155.53 155.57 33.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.548 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . 104.93 -136.42 13.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.419 1.074 . . . . 0.0 110.985 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.486 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . 59.48 -174.77 3.72 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.809 HG13 ' N ' ' A' ' 39' ' ' ASP . 0.5 OUTLIER 41.17 -157.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.748 . . . . 0.0 109.319 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.809 ' N ' HG13 ' A' ' 38' ' ' VAL . 11.7 t0 -70.83 57.99 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 54.7 p -95.44 160.43 30.57 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.96 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.2 Cg_endo -74.98 -4.73 15.84 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.476 1.777 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.923 HG22 ' HG3' ' A' ' 44' ' ' LYS . 2.4 p -89.46 -40.09 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.1 5.4 89.04 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.132 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.923 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -155.93 171.96 19.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.9 t -93.96 142.88 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.426 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 13.2 m -146.12 -167.09 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.4 t -106.22 135.65 43.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.408 ' HA ' ' OE1' ' A' ' 35' ' ' GLU . 29.6 t -94.14 -46.02 7.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.016 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.93 148.82 6.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.74 HG23 ' HB3' ' A' ' 56' ' ' ALA . 1.2 p -120.88 91.37 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.249 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -49.46 116.19 1.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -41.8 -30.75 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.337 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.91 54.75 4.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.499 1.124 . . . . 0.0 111.047 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -147.32 -165.59 11.91 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.608 ' CB ' ' CH2' ' A' ' 92' ' ' TRP . . . -90.72 -48.56 6.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.74 ' HB3' HG23 ' A' ' 50' ' ' VAL . . . -42.05 -45.69 3.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.401 ' CD ' ' C ' ' A' ' 57' ' ' GLU . 10.1 tm-20 -53.08 -56.59 15.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -43.09 -42.23 3.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.554 ' CE1' ' HB3' ' A' ' 22' ' ' LEU . 14.7 t60 -61.88 -65.68 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.608 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.93 -52.79 1.43 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -44.11 -47.67 8.12 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.566 HG23 HD12 ' A' ' 22' ' ' LEU . 2.7 t -89.03 128.1 41.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.5 m -135.55 -168.31 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.09 153.5 38.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.06 40.17 96.83 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.663 ' HB3' HG21 ' A' ' 103' ' ' VAL . 0.5 OUTLIER -88.45 172.63 9.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 109.26 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.595 ' C ' HG23 ' A' ' 103' ' ' VAL . 0.3 OUTLIER -100.94 58.64 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.685 HD13 ' HB ' ' A' ' 103' ' ' VAL . 2.1 mm -62.12 142.86 15.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.812 ' O ' HG22 ' A' ' 76' ' ' VAL . 37.7 mtm -142.31 -45.69 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.601 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -131.23 145.38 51.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.854 HD13 ' HB2' ' A' ' 88' ' ' LEU . 40.6 mt -118.76 107.2 21.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 67.12 18.89 10.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 112.7 -42.98 1.81 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.564 1.165 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER -53.47 130.42 35.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 0.751 . . . . 0.0 109.297 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.523 HG23 HG23 ' A' ' 77' ' ' THR . 6.9 mt -75.11 126.2 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.812 HG22 ' O ' ' A' ' 69' ' ' MET . 12.1 m -123.58 15.71 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.523 HG23 HG23 ' A' ' 75' ' ' ILE . 33.4 p -60.1 -22.28 62.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -131.81 31.18 4.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.441 ' HB2' ' CA ' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -95.09 148.21 22.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.548 HG22 HG23 ' A' ' 38' ' ' VAL . 6.7 p -88.79 156.86 18.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.398 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.967 HD21 ' HA ' ' A' ' 35' ' ' GLU . 4.8 mt -40.13 -64.16 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.64 -59.49 3.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -43.76 -69.39 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 110.334 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -52.67 -65.39 0.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 84' ' ' ALA . 5.1 mt-10 -36.85 -50.1 0.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.321 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.2 -52.1 38.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.24 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -45.35 -68.93 0.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.854 ' HB2' HD13 ' A' ' 71' ' ' ILE . 35.1 tp -42.49 -62.76 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 90' ' ' LYS . 15.9 mm100 -47.52 -66.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 89' ' ' GLN . 2.1 mmtm -36.91 -42.07 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' A' ' 88' ' ' LEU . . . -59.77 -57.35 13.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.746 ' CE3' HD13 ' A' ' 30' ' ' LEU . 13.6 t-105 -60.56 -44.44 96.16 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 94' ' ' GLN . 3.5 m120 -47.59 -44.08 26.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 93' ' ' ASN . 15.2 mt-30 -36.68 -51.75 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.59 22.98 8.6 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -59.62 -175.24 0.89 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -89.5 -43.83 10.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 0.78 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -142.27 168.43 19.75 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.526 HG21 ' CE3' ' A' ' 92' ' ' TRP . 4.5 tt -137.66 143.14 34.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.647 ' CG ' HD11 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -106.34 129.66 54.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.075 . . . . 0.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.695 HD12 ' CD1' ' A' ' 24' ' ' ILE . 56.2 mt -120.16 113.85 21.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.601 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 78.0 t -82.19 105.26 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.685 ' HB ' HD13 ' A' ' 68' ' ' ILE . 2.1 p -145.3 140.38 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.62 ' HB1' ' O ' ' A' ' 18' ' ' ASP . . . -85.04 148.63 26.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.629 HG12 ' HB3' ' A' ' 18' ' ' ASP . 10.3 p -77.84 147.66 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 27.5 t -132.08 131.57 22.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 108.285 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 155.5 43.1 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 111.027 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 109.63 2.97 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -137.31 -52.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 69.12 110.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 110.264 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -120.87 -177.58 3.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -103.46 -54.04 2.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 61.9 121.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -110.63 -42.05 4.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.407 HD23 ' H ' ' A' ' 116' ' ' THR . 0.6 OUTLIER -132.45 -98.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 118' ' ' PHE . 2.2 t -176.28 139.34 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.42 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -64.94 76.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 111.058 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 116' ' ' THR . 2.5 m-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.4 m 58.38 83.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 0.732 . . . . 0.0 109.991 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -71.86 85.69 0.96 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.162 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.59 85.02 0.05 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.473 ' O ' ' HB2' ' A' ' 6' ' ' ALA . . . -64.57 135.91 56.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . 176.76 53.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.7 p -128.43 -48.25 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 0.0 110.434 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -49.67 -51.43 38.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.416 ' CZ ' ' HB2' ' A' ' 70' ' ' ALA . 58.6 m-85 -64.63 166.95 7.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.38 161.14 65.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -19.3 17.89 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.67 17.93 20.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 110.335 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -117.73 -54.09 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.4 pt -66.17 -40.63 87.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.17 125.08 8.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.06 -47.91 1.47 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.458 1.099 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -66.51 -179.4 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.78 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -134.15 85.88 2.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 70.5 t -88.88 140.3 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.58 ' CZ ' HG21 ' A' ' 105' ' ' VAL . 0.7 OUTLIER -137.83 132.85 33.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.789 HD11 ' CG ' ' A' ' 100' ' ' ASP . 23.1 tp -98.1 122.17 40.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.5 mt -111.3 149.53 30.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.573 ' HD2' ' CE3' ' A' ' 98' ' ' TRP . 22.3 ttp180 -116.79 108.79 16.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.517 HG12 ' CG ' ' A' ' 59' ' ' HIS . 81.6 mt -100.81 138.39 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -74.06 142.95 45.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.566 1.166 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.582 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -91.06 79.11 5.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 3.9 tp10 -135.67 137.51 41.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 52.3 66.61 2.52 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 p 44.33 -167.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 0.755 . . . . 0.0 109.978 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.771 HD21 HD21 ' A' ' 88' ' ' LEU . 42.7 tp -104.9 -63.01 1.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 60.13 81.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.613 ' CD1' HG22 ' A' ' 50' ' ' VAL . 15.4 tp -142.1 134.34 27.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.78 132.69 39.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.544 HD23 ' HA ' ' A' ' 47' ' ' VAL . 18.8 mt -121.22 156.49 32.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.808 ' HA ' HD21 ' A' ' 81' ' ' LEU . 19.4 pt-20 -156.49 144.03 19.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.536 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . 114.12 -156.84 15.36 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.471 1.107 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.51 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . 70.71 -168.36 49.52 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.795 HG13 ' N ' ' A' ' 39' ' ' ASP . 2.7 p 33.27 -146.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 0.725 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.795 ' N ' HG13 ' A' ' 38' ' ' VAL . 1.9 t0 -80.32 50.34 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 96.6 p -88.13 159.91 47.1 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.975 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.434 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.3 Cg_endo -75.02 5.35 4.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.566 HG22 ' HG3' ' A' ' 44' ' ' LYS . 1.7 p -108.52 -49.23 7.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.07 1.78 66.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.566 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -145.95 178.05 8.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.2 t -100.0 121.71 51.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.2 m -132.72 135.31 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.544 ' HA ' HD23 ' A' ' 34' ' ' LEU . 43.7 t -57.51 129.24 19.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.493 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 4.4 t -83.38 -44.21 15.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.038 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.59 147.52 6.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.31 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.613 HG22 ' CD1' ' A' ' 32' ' ' LEU . 38.6 t -105.86 90.19 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -47.21 108.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.457 ' HA ' ' CB ' ' A' ' 57' ' ' GLU . 4.8 pt-20 -50.78 -24.15 3.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.49 45.61 2.57 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -145.25 -165.31 11.16 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.526 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -91.31 -32.94 15.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 0.777 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.533 ' CB ' HD13 ' A' ' 32' ' ' LEU . . . -50.62 -58.19 6.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.457 ' CB ' ' HA ' ' A' ' 52' ' ' GLU . 5.9 tp10 -58.63 -45.44 89.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.349 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.19 -54.96 7.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.343 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.517 ' CG ' HG12 ' A' ' 24' ' ' ILE . 16.6 t-80 -48.04 -65.7 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.575 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.77 129.98 1.43 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.459 1.099 . . . . 0.0 111.034 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 163.7 -64.91 0.24 Allowed Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.3 p -122.38 143.73 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.567 0.804 . . . . 0.0 109.267 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.2 m -100.11 -169.19 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.493 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.2 OUTLIER -61.65 159.79 12.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.81 -18.17 57.98 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.851 ' HB2' HG21 ' A' ' 103' ' ' VAL . 10.3 p-10 -42.03 161.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.822 ' C ' HG23 ' A' ' 103' ' ' VAL . 1.8 mt-10 -104.06 79.47 1.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.477 HD11 ' OD2' ' A' ' 66' ' ' ASP . 2.8 mm -63.26 143.06 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.704 ' O ' HG22 ' A' ' 76' ' ' VAL . 8.6 mtm -143.25 -50.9 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.548 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -128.33 134.13 48.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.588 1.18 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.824 HG22 ' OD1' ' A' ' 72' ' ' ASN . 75.0 mt -106.16 107.66 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.824 ' OD1' HG22 ' A' ' 71' ' ' ILE . 1.8 m120 75.59 -52.83 0.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -168.62 -39.98 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.14 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.13 152.9 15.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.544 HG23 HG23 ' A' ' 77' ' ' THR . 4.4 mt -91.32 125.56 44.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.704 HG22 ' O ' ' A' ' 69' ' ' MET . 12.7 m -123.73 16.93 4.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.544 HG23 HG23 ' A' ' 75' ' ' ILE . 42.5 p -56.35 -37.69 70.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 110.393 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -119.1 36.67 4.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.528 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -96.05 155.17 16.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.981 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 81' ' ' LEU . 16.7 p -92.01 155.6 17.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.416 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.808 HD21 ' HA ' ' A' ' 35' ' ' GLU . 3.4 mt -39.64 -64.09 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.65 -62.95 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.346 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.528 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 13.5 mt-10 -40.21 -68.7 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -53.61 -65.08 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 84' ' ' ALA . 4.7 mt-10 -36.92 -60.01 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 87' ' ' ALA . . . -60.65 -60.24 4.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 86' ' ' ALA . . . -39.46 -59.03 1.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.771 HD21 HD21 ' A' ' 30' ' ' LEU . 13.4 tp -47.98 -55.83 9.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 92' ' ' TRP . 3.3 mt-30 -48.29 -61.54 1.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 93' ' ' ASN . 31.1 mttt -39.87 -63.66 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.705 ' HB1' HD21 ' A' ' 72' ' ' ASN . . . -39.82 -41.39 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.582 ' CZ3' HD13 ' A' ' 30' ' ' LEU . 20.2 t-105 -70.65 -50.13 39.97 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 90' ' ' LYS . 7.6 m120 -54.96 -44.14 74.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.243 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 93' ' ' ASN . 11.4 mt-30 -37.35 -36.76 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 96' ' ' GLY . . . 119.16 -95.74 0.62 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 95' ' ' GLY . . . 50.15 175.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -98.28 -44.67 6.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.573 ' CE3' ' HD2' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -142.22 141.06 32.5 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.549 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 13.7 tt -96.25 161.92 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.152 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.789 ' CG ' HD11 ' A' ' 21' ' ' LEU . 3.1 m-20 -117.46 140.54 49.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.491 HD12 HD12 ' A' ' 24' ' ' ILE . 64.9 mt -128.8 121.69 28.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.548 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 41.7 t -102.19 98.39 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.851 HG21 ' HB2' ' A' ' 66' ' ' ASP . 1.4 p -136.38 147.35 27.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.42 ' O ' HG22 ' A' ' 103' ' ' VAL . . . -72.12 164.48 26.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.58 HG21 ' CZ ' ' A' ' 20' ' ' ARG . 88.7 t -82.73 145.1 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 42.6 t -175.76 116.48 0.29 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 108.282 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 165.5 31.09 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.494 1.786 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 111.75 3.4 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.465 1.771 . . . . 0.0 110.961 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 176.5 -36.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -87.1 43.55 1.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.468 ' CG ' ' O ' ' A' ' 111' ' ' TYR . 1.8 t80 -91.27 91.89 8.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -140.34 136.79 33.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.3 t0 177.67 -50.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 38.33 87.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 115' ' ' LEU . 0.6 OUTLIER -177.36 49.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.2 p -141.43 74.19 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.417 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -50.36 -27.43 6.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.974 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.1 t -172.98 -44.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.379 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.78 -37.71 6.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -77.08 179.91 5.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.66 163.59 25.55 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -21.19 16.16 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.52 1.8 . . . . 0.0 111.04 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.53 11.85 38.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.348 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -111.34 -44.54 3.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.3 pt -78.74 -55.36 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.355 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 57.1 68.93 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 42.58 34.82 1.84 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.53 1.144 . . . . 0.0 110.954 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.15 172.46 2.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 0.784 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -115.25 86.07 2.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.418 ' HA ' ' HA ' ' A' ' 104' ' ' ALA . 0.1 OUTLIER -111.16 153.34 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.418 1.073 . . . . 0.0 109.285 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.424 ' HG3' HG23 ' A' ' 105' ' ' VAL . 0.5 OUTLIER -131.48 171.4 13.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.259 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.73 HD11 ' HB3' ' A' ' 100' ' ' ASP . 14.8 tp -123.7 96.88 5.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.433 HD11 ' CG1' ' A' ' 62' ' ' VAL . 25.0 mt -89.13 140.67 29.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.86 117.97 31.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.553 HD12 HD12 ' A' ' 101' ' ' LEU . 96.5 mt -105.24 141.95 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.406 ' O ' ' CH2' ' A' ' 92' ' ' TRP . 5.9 ttpp -76.97 138.77 39.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.574 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 41.8 mttt -84.21 60.09 5.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -134.8 127.45 30.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.341 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.1 34.17 15.56 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.529 ' O ' ' CZ2' ' A' ' 92' ' ' TRP . 4.9 p 63.01 -177.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 109.996 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.522 ' HB2' ' CD2' ' A' ' 92' ' ' TRP . 26.0 tp -94.86 -67.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 58.33 81.56 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.446 HD13 ' CB ' ' A' ' 56' ' ' ALA . 15.9 tp -145.25 146.19 31.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -115.83 142.0 47.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.511 HD23 ' HA ' ' A' ' 47' ' ' VAL . 30.1 mt -126.6 156.99 40.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.814 ' HA ' HD21 ' A' ' 81' ' ' LEU . 10.5 pt-20 -156.12 140.29 16.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.12 -143.69 18.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 38' ' ' VAL . . . 60.38 -161.59 20.81 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.792 HG13 ' N ' ' A' ' 39' ' ' ASP . 1.6 p 35.14 -150.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.792 ' N ' HG13 ' A' ' 38' ' ' VAL . 4.6 m-20 -88.45 51.22 2.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.6 170.67 8.18 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -6.74 18.44 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.497 1.788 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.819 HG12 ' HG2' ' A' ' 44' ' ' LYS . 72.3 t -87.68 -58.31 3.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.35 19.45 58.68 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.819 ' HG2' HG12 ' A' ' 42' ' ' VAL . 23.0 pttt -163.7 177.65 8.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.776 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 32.6 t -102.14 118.18 48.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 35' ' ' GLU . 29.6 m -131.15 135.03 60.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.511 ' HA ' HD23 ' A' ' 34' ' ' LEU . 42.6 t -58.12 116.48 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.423 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 13.1 t -66.87 -47.71 71.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.55 149.61 6.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 86.1 t -105.71 93.14 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.3 m-30 -44.88 117.73 1.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.85 -21.22 63.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -104.09 54.12 0.67 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.445 1.091 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -153.38 -179.26 28.7 Favored Glycine 0 CA--C 1.529 0.947 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.576 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -78.68 -18.53 54.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 0.76 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.446 ' CB ' HD13 ' A' ' 32' ' ' LEU . . . -64.29 -55.22 22.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 58' ' ' ARG . 12.8 tm-20 -58.09 -50.69 72.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 57' ' ' GLU . 3.1 mtt-85 -37.72 -53.14 1.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.408 ' CB ' HG12 ' A' ' 24' ' ' ILE . 51.7 t-80 -57.48 -65.81 0.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.588 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.34 -147.81 19.74 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.12 -80.39 1.11 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.433 ' CG1' HD11 ' A' ' 22' ' ' LEU . 11.9 m -88.52 156.17 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 0.744 . . . . 0.0 109.363 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.406 ' O ' ' CG ' ' A' ' 66' ' ' ASP . 3.9 m -140.34 179.05 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.423 ' CD ' ' O ' ' A' ' 48' ' ' SER . 5.1 ttpp -45.52 152.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.15 -1.33 77.02 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.757 ' HB3' HG21 ' A' ' 103' ' ' VAL . 68.3 m-20 -60.15 178.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.853 ' C ' HG23 ' A' ' 103' ' ' VAL . 0.8 OUTLIER -123.01 79.12 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.311 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.814 HD13 ' HB ' ' A' ' 103' ' ' VAL . 4.8 mm -67.61 140.46 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.818 ' O ' HG22 ' A' ' 76' ' ' VAL . 44.5 mtm -139.65 -46.15 0.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.742 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -127.24 144.18 51.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.605 HD12 HG11 ' A' ' 76' ' ' VAL . 41.0 mt -124.88 110.51 25.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.485 HD22 ' HB1' ' A' ' 91' ' ' ALA . 2.2 t-20 58.21 18.07 5.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.96 45.3 2.89 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.75 ' O ' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -135.99 101.89 4.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 0.758 . . . . 0.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.493 HG23 HG23 ' A' ' 77' ' ' THR . 6.6 mt -52.14 117.75 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.818 HG22 ' O ' ' A' ' 69' ' ' MET . 35.3 m -123.55 21.09 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.493 HG23 HG23 ' A' ' 75' ' ' ILE . 28.2 p -63.03 -23.22 67.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.401 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.07 26.98 6.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.563 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.3 OUTLIER -96.31 151.64 19.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.718 HG22 HG23 ' A' ' 38' ' ' VAL . 1.9 p -91.15 157.15 17.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.367 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.814 HD21 ' HA ' ' A' ' 35' ' ' GLU . 3.5 mt -39.64 -63.89 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -48.08 -65.16 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.563 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 34.6 mt-10 -38.89 -68.94 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -52.59 -66.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 84' ' ' ALA . 6.8 mt-10 -37.11 -61.84 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.09 -55.78 30.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.87 -68.66 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.442 ' HB2' HD13 ' A' ' 71' ' ' ILE . 6.7 tp -41.25 -51.02 3.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 90' ' ' LYS . 0.2 OUTLIER -50.89 -58.72 5.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 89' ' ' GLN . 8.7 mttm -38.49 -53.7 1.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.485 ' HB1' HD22 ' A' ' 72' ' ' ASN . . . -47.4 -68.78 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.592 ' CZ3' HG21 ' A' ' 99' ' ' ILE . 5.3 t-105 -50.38 -49.84 53.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 108.019 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 94' ' ' GLN . 3.0 m-80 -44.35 -50.58 9.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 93' ' ' ASN . 22.1 mt-30 -35.21 -43.02 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 110.346 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 96.98 31.58 6.88 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.467 ' CA ' ' HD3' ' A' ' 26' ' ' LYS . . . -64.07 -171.28 2.18 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -97.21 -44.55 6.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 0.751 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -142.35 162.73 34.73 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.592 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 1.9 tt -131.27 129.42 62.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.73 ' HB3' HD11 ' A' ' 21' ' ' LEU . 2.9 m-20 -96.91 108.9 21.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.553 HD12 HD12 ' A' ' 24' ' ' ILE . 95.2 mt -96.74 125.15 40.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.742 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 19.1 t -100.67 100.72 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.853 HG23 ' C ' ' A' ' 67' ' ' GLU . 1.3 p -134.83 140.84 44.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.418 ' HA ' ' HA ' ' A' ' 19' ' ' VAL . . . -71.88 168.96 16.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.424 HG23 ' HG3' ' A' ' 20' ' ' ARG . 41.4 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.442 HG23 ' N ' ' A' ' 8' ' ' MET . 2.1 t -167.75 -52.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 110.413 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.442 ' N ' HG23 ' A' ' 7' ' ' THR . 1.2 mpp? -51.53 -34.66 37.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -76.85 163.08 27.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 0.0 111.042 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.88 167.96 28.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.02 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -34.01 4.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.461 1.769 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -89.26 19.69 4.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -117.27 -52.46 2.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.423 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 4.5 pt -76.8 -57.89 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.411 ' N ' ' CG1' ' A' ' 14' ' ' ILE . . . 62.93 -128.81 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.02 28.39 12.95 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 7.1 mttp -69.44 168.01 15.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.763 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -128.27 89.46 2.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 103' ' ' VAL . 1.0 OUTLIER -117.09 149.78 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.488 ' HG3' HG23 ' A' ' 105' ' ' VAL . 2.1 mtt180 -129.46 176.43 7.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 22' ' ' LEU . 3.4 tp -123.26 121.55 36.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.432 ' N ' HD12 ' A' ' 21' ' ' LEU . 19.7 mt -111.38 122.15 47.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.604 ' NH2' ' CH2' ' A' ' 98' ' ' TRP . 0.0 OUTLIER -93.88 125.31 38.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 110.324 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.79 HD12 HD12 ' A' ' 101' ' ' LEU . 59.7 mt -109.5 155.59 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.77 149.51 21.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.563 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 11.2 mttt -101.39 83.96 2.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -123.91 131.28 53.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.17 -80.03 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.485 1.116 . . . . 0.0 111.055 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -158.69 175.88 13.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 0.742 . . . . 0.0 110.001 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.841 HD21 HD21 ' A' ' 88' ' ' LEU . 26.6 tp -101.26 -38.16 8.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 41.37 64.9 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.747 HD11 ' CG1' ' A' ' 47' ' ' VAL . 47.1 tp -124.53 141.64 51.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.44 ' O ' HD23 ' A' ' 34' ' ' LEU . . . -107.47 148.46 29.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.697 HD23 ' HA ' ' A' ' 47' ' ' VAL . 46.2 mt -130.43 157.46 42.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.914 ' HA ' HD21 ' A' ' 81' ' ' LEU . 21.2 pt-20 -155.9 152.87 28.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.93 -144.65 16.72 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.474 ' O ' ' C ' ' A' ' 38' ' ' VAL . . . 64.4 -161.72 38.08 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.797 HG13 ' N ' ' A' ' 39' ' ' ASP . 1.9 p 34.72 -149.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 109.347 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.797 ' N ' HG13 ' A' ' 38' ' ' VAL . 5.7 m-20 -89.64 50.98 1.99 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.475 ' CB ' ' CD ' ' A' ' 41' ' ' PRO . 0.9 OUTLIER -93.96 176.92 2.14 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 109.992 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 40' ' ' SER . 18.2 Cg_endo -75.06 -20.83 16.37 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.539 1.81 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.76 HG12 ' HG2' ' A' ' 44' ' ' LYS . 54.0 t -73.57 -66.39 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.79 25.77 19.19 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.76 ' HG2' HG12 ' A' ' 42' ' ' VAL . 18.5 pttt -171.23 176.09 4.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.5 t -99.63 116.82 43.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.4 m -135.91 133.77 50.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.747 ' CG1' HD11 ' A' ' 32' ' ' LEU . 74.8 t -58.92 117.2 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.502 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 44.0 t -70.49 -47.77 58.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.64 132.79 2.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 109.256 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.588 HG23 ' HB3' ' A' ' 56' ' ' ALA . 2.6 p -103.39 99.05 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -52.6 121.06 6.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -50.39 -23.06 2.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.31 49.33 3.22 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -145.95 177.46 24.31 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.537 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -75.47 -40.83 56.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.736 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.588 ' HB3' HG23 ' A' ' 50' ' ' VAL . . . -41.95 -59.98 1.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -54.62 -42.57 71.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.39 -49.6 44.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.278 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.448 ' NE2' ' O ' ' A' ' 23' ' ' ARG . 49.6 t-80 -50.31 -63.79 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.602 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.18 79.27 1.27 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.54 1.15 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -179.86 -56.89 0.08 OUTLIER Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.597 HG11 HD11 ' A' ' 24' ' ' ILE . 7.3 p -91.38 119.65 39.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 0.746 . . . . 0.0 109.35 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.9 m -123.78 -161.17 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.502 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.5 OUTLIER -74.98 138.48 42.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 104.86 -21.76 35.39 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.467 1.105 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.925 ' HB3' HG11 ' A' ' 103' ' ' VAL . 0.5 OUTLIER -52.32 130.8 31.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 109.266 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.777 ' O ' HG13 ' A' ' 103' ' ' VAL . 2.2 mt-10 -78.24 98.87 6.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.719 HD13 HG22 ' A' ' 103' ' ' VAL . 4.7 mm -77.68 136.47 24.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.546 ' O ' HG22 ' A' ' 76' ' ' VAL . 17.2 mtm -131.92 -46.32 0.94 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.097 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.566 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -130.04 146.65 51.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.671 HD13 ' HB2' ' A' ' 88' ' ' LEU . 37.5 mt -125.29 107.99 19.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.705 HD22 ' HB1' ' A' ' 91' ' ' ALA . 1.9 t-20 63.22 15.08 8.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 120.19 -52.71 0.71 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.24 136.15 25.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 0.748 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.707 HG23 HG23 ' A' ' 77' ' ' THR . 48.5 mt -78.35 133.38 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.546 HG22 ' O ' ' A' ' 69' ' ' MET . 15.2 m -123.36 22.93 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.707 HG23 HG23 ' A' ' 75' ' ' ILE . 28.9 p -59.36 -55.06 39.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.104 . . . . 0.0 110.404 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -103.04 35.58 2.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.443 ' CG ' ' HA ' ' A' ' 76' ' ' VAL . 0.3 OUTLIER -96.21 147.14 24.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.118 . . . . 0.0 110.999 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.654 HG22 HG23 ' A' ' 38' ' ' VAL . 2.6 p -89.61 157.05 18.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.434 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.914 HD21 ' HA ' ' A' ' 35' ' ' GLU . 3.6 mt -40.79 -63.03 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.75 -57.88 5.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.67 -68.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -54.46 -64.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 84' ' ' ALA . 11.0 mt-10 -37.47 -56.13 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 87' ' ' ALA . . . -63.16 -59.22 5.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 86' ' ' ALA . . . -40.29 -67.12 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.841 HD21 HD21 ' A' ' 30' ' ' LEU . 39.4 tp -40.84 -60.05 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.404 ' OE1' ' HA ' ' A' ' 89' ' ' GLN . 13.0 mm-40 -48.95 -58.93 4.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 93' ' ' ASN . 20.4 mttt -41.16 -65.58 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.705 ' HB1' HD22 ' A' ' 72' ' ' ASN . . . -42.07 -44.21 3.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.757 ' CZ3' HD13 ' A' ' 30' ' ' LEU . 10.8 t-105 -65.29 -47.03 78.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 107.98 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 90' ' ' LYS . 47.8 m-80 -59.0 -46.2 88.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 93' ' ' ASN . 14.5 mt-30 -37.13 -54.74 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 96' ' ' GLY . . . 142.3 -99.58 0.24 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.544 1.153 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 95' ' ' GLY . . . 52.2 172.81 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -97.78 -43.9 6.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 0.734 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.604 ' CH2' ' NH2' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -141.39 156.09 45.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 108.026 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 24' ' ' ILE . 1.9 tt -112.11 156.64 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -109.62 134.06 52.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.79 HD12 HD12 ' A' ' 24' ' ' ILE . 58.4 mt -131.83 117.08 18.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.566 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 86.7 t -99.13 98.35 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.925 HG11 ' HB3' ' A' ' 66' ' ' ASP . 41.8 t -114.64 147.97 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.81 147.59 29.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.488 HG23 ' HG3' ' A' ' 20' ' ' ARG . 36.3 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.408 ' O ' HD12 ' A' ' 14' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.5 p -113.79 -54.8 2.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 110.37 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.4 mtm -41.63 -52.96 3.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.443 ' CE1' ' HB3' ' A' ' 69' ' ' MET . 36.4 m-85 -69.31 158.96 34.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.03 160.7 10.68 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.983 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -10.84 21.36 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.36 -2.26 16.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -103.88 7.59 36.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.254 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 17' ' ' LYS . 2.6 pt -131.48 -45.26 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 14' ' ' ILE . . . -39.76 108.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.26 -47.41 1.09 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.13 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 14' ' ' ILE . 0.6 OUTLIER -48.76 145.98 3.44 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 0.766 . . . . 0.0 109.25 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' A' ' 104' ' ' ALA . 61.9 m-20 -102.2 86.13 2.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.7 t -97.31 133.68 38.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.493 ' HG3' HG23 ' A' ' 105' ' ' VAL . 0.2 OUTLIER -130.02 122.08 27.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.286 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.623 HD11 ' OD2' ' A' ' 100' ' ' ASP . 9.1 tp -81.91 107.19 14.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.4 mt -97.71 153.15 18.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -126.17 101.65 6.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.266 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.756 HD12 HD12 ' A' ' 101' ' ' LEU . 26.4 mt -85.3 137.92 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.1 145.5 37.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.572 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 3.3 mttp -95.87 85.51 4.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.1 OUTLIER -127.31 136.44 51.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.12 -79.95 0.04 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 27' ' ' GLU . 1.1 p -158.34 -170.04 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.79 . . . . 0.0 109.946 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.79 HD13 ' CE3' ' A' ' 92' ' ' TRP . 48.3 tp -96.95 -61.11 1.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.465 ' OD1' ' CD2' ' A' ' 51' ' ' TYR . 2.0 t0 51.68 83.9 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.734 ' CD1' HG22 ' A' ' 50' ' ' VAL . 20.3 tp -149.46 154.33 38.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -121.21 148.03 44.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.502 HD23 ' HA ' ' A' ' 47' ' ' VAL . 62.0 mt -130.33 156.03 45.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.844 ' HA ' HD21 ' A' ' 81' ' ' LEU . 19.7 pt-20 -155.54 145.57 21.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.253 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.69 -147.57 18.65 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.479 ' O ' ' C ' ' A' ' 38' ' ' VAL . . . 63.05 -156.99 40.28 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.8 HG13 ' N ' ' A' ' 39' ' ' ASP . 2.1 p 34.13 -148.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.8 ' N ' HG13 ' A' ' 38' ' ' VAL . 6.4 m-20 -88.17 51.31 2.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 p -89.77 166.32 21.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -6.46 18.1 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.8 HG12 ' HG3' ' A' ' 44' ' ' LYS . 25.1 t -91.38 -58.96 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.31 29.43 27.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.8 ' HG3' HG12 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -166.93 173.18 9.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.777 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.8 t -96.52 128.01 48.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 35' ' ' GLU . 17.2 m -139.57 134.77 39.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.502 ' HA ' HD23 ' A' ' 34' ' ' LEU . 93.1 t -58.04 118.14 2.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.496 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 28.8 t -72.48 -49.27 34.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.986 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.99 145.72 5.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.734 HG22 ' CD1' ' A' ' 32' ' ' LEU . 51.9 t -102.68 89.68 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.465 ' CD2' ' OD1' ' A' ' 31' ' ' ASP . 15.6 m-85 -45.41 121.62 3.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.048 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -64.91 147.78 52.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.39 -40.95 2.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -59.62 -172.33 0.57 Allowed Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.633 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -81.14 -40.83 23.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.79 -54.56 11.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.98 -46.66 88.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -54.95 24.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.495 ' CG ' HG12 ' A' ' 24' ' ' ILE . 22.8 t-80 -41.09 -64.66 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.634 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.46 49.35 5.51 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -124.06 -63.54 0.19 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.474 HG23 ' OD2' ' A' ' 66' ' ' ASP . 9.9 p -95.9 140.43 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.776 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.5 m -116.31 -164.7 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.496 ' CD ' ' O ' ' A' ' 48' ' ' SER . 1.6 ttpp -84.68 152.35 23.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 67.85 42.54 86.05 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.736 ' HB3' HG21 ' A' ' 103' ' ' VAL . 0.4 OUTLIER -93.93 -174.06 3.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.987 ' C ' HG23 ' A' ' 103' ' ' VAL . 5.9 mt-10 -114.91 73.84 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.879 HD13 ' HB ' ' A' ' 103' ' ' VAL . 6.7 mm -72.56 148.03 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.827 ' O ' HG22 ' A' ' 76' ' ' VAL . 78.3 mtp -145.16 -46.89 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.634 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -129.32 141.16 51.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.584 HD13 ' HB2' ' A' ' 88' ' ' LEU . 73.6 mt -119.12 121.21 66.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 43.41 27.53 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.425 ' N ' ' C ' ' A' ' 71' ' ' ILE . . . 88.18 39.01 7.04 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.517 1.136 . . . . 0.0 111.038 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.776 ' O ' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -131.58 95.73 3.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.633 HG23 HG23 ' A' ' 77' ' ' THR . 30.6 mt -44.08 125.41 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.827 HG22 ' O ' ' A' ' 69' ' ' MET . 27.0 m -122.88 20.56 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.633 HG23 HG23 ' A' ' 75' ' ' ILE . 62.3 p -56.61 -67.78 0.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.373 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -94.92 42.45 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.448 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.3 OUTLIER -104.56 148.51 26.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.54 HG22 HG23 ' A' ' 38' ' ' VAL . 3.3 p -93.74 158.73 15.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.449 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.844 HD21 ' HA ' ' A' ' 35' ' ' GLU . 4.1 mt -39.94 -62.56 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -45.47 -64.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.448 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -39.67 -69.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -52.96 -65.96 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 81' ' ' LEU . 7.4 mt-10 -36.48 -53.4 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 110.343 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 87' ' ' ALA . . . -64.91 -58.65 5.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 86' ' ' ALA . . . -40.19 -66.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.169 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.584 ' HB2' HD13 ' A' ' 71' ' ' ILE . 32.7 tp -40.8 -61.05 1.02 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 92' ' ' TRP . 39.5 mm-40 -48.96 -62.61 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 89' ' ' GLN . 33.8 mttt -39.17 -45.73 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 88' ' ' LEU . . . -55.5 -51.56 66.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.79 ' CE3' HD13 ' A' ' 30' ' ' LEU . 8.1 t-105 -63.86 -46.25 85.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 108.018 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 94' ' ' GLN . 3.3 m-80 -46.43 -43.6 16.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 93' ' ' ASN . 19.2 mt-30 -35.72 -52.2 0.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 97.48 62.64 0.9 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.449 1.093 . . . . 0.0 111.047 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -104.6 179.37 24.42 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -83.57 -43.86 15.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 0.777 . . . . 0.0 109.338 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -142.28 160.53 40.07 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.487 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 5.4 tt -128.39 153.63 38.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.71 ' O ' HD23 ' A' ' 101' ' ' LEU . 2.4 m-20 -110.31 148.22 32.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.756 HD12 HD12 ' A' ' 24' ' ' ILE . 36.9 mt -144.06 113.02 6.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.634 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 60.1 t -87.56 104.28 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.987 HG23 ' C ' ' A' ' 67' ' ' GLU . 2.2 p -144.98 141.28 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.73 ' HB3' ' HB2' ' A' ' 67' ' ' GLU . . . -63.61 177.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.493 HG23 ' HG3' ' A' ' 20' ' ' ARG . 38.8 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.1 t -61.17 -18.08 56.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.374 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.1 ttm -73.18 -23.9 60.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.506 ' CD1' ' HE1' ' A' ' 69' ' ' MET . 89.2 m-85 -102.6 155.92 17.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.67 153.33 52.52 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.0 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -13.91 21.3 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.484 1.781 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.79 16.49 26.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -117.5 -54.2 2.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.2 pt -66.34 -39.81 85.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.31 115.07 0.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.38 -47.26 1.06 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -75.19 176.08 7.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.44 ' HB3' HG12 ' A' ' 105' ' ' VAL . 82.8 m-20 -130.24 86.62 2.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.244 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.8 t -74.12 122.9 28.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 103' ' ' VAL . 11.4 mtt-85 -131.38 120.93 23.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.432 1.082 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.718 HD12 ' N ' ' A' ' 22' ' ' LEU . 4.4 tp -87.19 129.67 34.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.718 ' N ' HD12 ' A' ' 21' ' ' LEU . 12.4 mt -118.45 117.9 30.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.43 ' NH2' ' CD2' ' A' ' 98' ' ' TRP . 0.2 OUTLIER -85.9 124.38 32.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.817 HD12 HD12 ' A' ' 101' ' ' LEU . 51.2 mt -110.24 150.27 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -86.93 142.38 28.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.522 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 8.1 mttt -92.22 89.16 6.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.5 OUTLIER -128.08 138.78 52.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.2 -82.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.523 ' O ' ' CZ2' ' A' ' 92' ' ' TRP . 1.5 p -154.19 -164.31 1.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.765 . . . . 0.0 110.005 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.702 HD23 ' NE2' ' A' ' 89' ' ' GLN . 26.2 tp -104.37 -63.3 1.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 52.36 84.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.348 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.475 HD11 HG22 ' A' ' 50' ' ' VAL . 32.9 tp -146.07 134.36 21.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.82 139.04 39.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.443 ' C ' HD21 ' A' ' 81' ' ' LEU . 70.7 mt -122.39 167.0 13.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.757 ' HA ' HD21 ' A' ' 81' ' ' LEU . 8.9 pt-20 -156.02 153.11 28.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.432 ' HA2' ' CB ' ' A' ' 40' ' ' SER . . . 74.36 -152.83 45.51 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 111.045 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . 97.36 -64.02 0.95 Allowed Glycine 0 CA--C 1.531 1.062 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.749 HG13 ' N ' ' A' ' 39' ' ' ASP . 4.4 p -69.33 -143.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.567 0.804 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.749 ' N ' HG13 ' A' ' 38' ' ' VAL . 21.2 m-20 -83.03 50.12 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.517 ' CB ' ' CD ' ' A' ' 41' ' ' PRO . 0.5 OUTLIER -92.75 179.16 1.38 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.517 ' CD ' ' CB ' ' A' ' 40' ' ' SER . 18.2 Cg_endo -74.96 -7.35 19.11 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.541 1.811 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.0 t -93.27 -51.31 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.341 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.77 -30.91 5.84 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 37' ' ' GLY . 14.3 mtmt -113.04 -175.02 2.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.1 t -102.34 122.43 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 66' ' ' ASP . 23.2 m -136.66 134.99 49.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.59 HG11 ' CG2' ' A' ' 50' ' ' VAL . 52.6 t -58.42 133.0 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.7 t -89.75 -40.12 12.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -164.25 134.77 4.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.59 ' CG2' HG11 ' A' ' 47' ' ' VAL . 83.7 t -103.41 90.18 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -46.83 122.19 4.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.437 ' HA ' ' CB ' ' A' ' 57' ' ' GLU . 41.0 tt0 -56.85 -42.73 80.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.89 -13.0 60.87 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.73 161.0 45.72 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.622 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -75.55 -14.4 60.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.403 ' HA ' HD13 ' A' ' 24' ' ' ILE . . . -68.79 -45.83 70.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.437 ' CB ' ' HA ' ' A' ' 52' ' ' GLU . 4.6 tm-20 -68.48 -48.66 63.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.8 mtt-85 -41.72 -34.79 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -73.92 -63.13 1.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.604 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 107.94 -109.12 2.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.88 -89.13 0.07 OUTLIER Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.4 t -130.64 148.32 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.758 . . . . 0.0 109.35 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.4 m -86.33 -160.18 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.097 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.421 ' HB2' HG12 ' A' ' 47' ' ' VAL . 0.3 OUTLIER -67.83 161.49 26.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.19 -17.62 58.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.433 ' OD1' HG23 ' A' ' 47' ' ' VAL . 42.3 p-10 -51.29 160.55 0.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.4 ' CD ' ' HZ2' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -106.64 104.0 13.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.431 HD13 HG22 ' A' ' 103' ' ' VAL . 3.9 mm -79.51 153.07 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.248 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.646 ' C ' HG22 ' A' ' 76' ' ' VAL . 71.3 mtp -142.99 -46.84 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.527 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -135.94 139.17 43.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.815 HD13 ' HB2' ' A' ' 88' ' ' LEU . 69.3 mt -117.51 111.6 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.818 ' ND2' ' HB1' ' A' ' 91' ' ' ALA . 2.5 m120 58.41 27.99 16.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 105.82 -46.76 1.13 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.48 133.36 35.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 0.734 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.887 HG23 HG23 ' A' ' 77' ' ' THR . 10.8 mt -77.73 131.01 35.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.646 HG22 ' C ' ' A' ' 69' ' ' MET . 15.2 m -123.8 23.07 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.887 HG23 HG23 ' A' ' 75' ' ' ILE . 36.2 p -52.17 -58.96 5.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.375 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -107.75 38.66 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.535 ' CG ' ' HA ' ' A' ' 76' ' ' VAL . 0.3 OUTLIER -91.09 150.33 21.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.691 HG22 HG23 ' A' ' 38' ' ' VAL . 5.1 p -94.46 159.03 15.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.354 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.757 HD21 ' HA ' ' A' ' 35' ' ' GLU . 3.1 mt -41.33 -62.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.86 -63.93 0.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.456 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 2.3 mm-40 -40.02 -69.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.317 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -52.48 -66.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 84' ' ' ALA . 9.1 mt-10 -36.52 -57.27 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 87' ' ' ALA . . . -61.39 -62.59 1.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 86' ' ' ALA . . . -39.67 -64.81 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.815 ' HB2' HD13 ' A' ' 71' ' ' ILE . 5.8 tp -44.59 -60.34 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.702 ' NE2' HD23 ' A' ' 30' ' ' LEU . 40.5 mm-40 -49.94 -56.98 8.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -39.8 -56.52 1.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.818 ' HB1' ' ND2' ' A' ' 72' ' ' ASN . . . -47.28 -45.71 24.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.704 ' CZ3' HG21 ' A' ' 99' ' ' ILE . 7.2 t-105 -67.81 -48.96 64.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 108.01 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 94' ' ' GLN . 5.2 m-80 -52.58 -45.4 66.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 93' ' ' ASN . 15.3 mt-30 -38.18 -38.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.77 97.49 1.1 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.494 1.121 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -139.2 -178.08 16.12 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.551 ' HB3' ' CD2' ' A' ' 98' ' ' TRP . 56.7 m-20 -91.14 -45.22 8.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.551 ' CD2' ' HB3' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -136.02 161.23 36.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 108.021 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.704 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 6.5 tt -136.41 142.07 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -101.8 142.27 33.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.817 HD12 HD12 ' A' ' 24' ' ' ILE . 46.3 mt -137.81 115.02 10.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.527 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 77.8 t -84.2 115.69 26.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.431 HG22 HD13 ' A' ' 68' ' ' ILE . 2.6 t -139.0 158.31 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -95.72 133.41 39.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.44 HG12 ' HB3' ' A' ' 18' ' ' ASP . 11.6 p . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.476 ' O ' HG23 ' A' ' 7' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 6' ' ' ALA . 2.1 p -153.48 -47.96 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 110.397 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -44.37 -53.22 7.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -54.14 -167.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 111.04 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.3 159.29 59.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -11.24 21.44 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.499 1.789 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -106.94 11.2 30.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.268 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -112.49 -50.94 2.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.2 pt -69.22 -40.0 79.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.86 124.21 12.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.37 -34.24 4.06 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -68.99 155.2 40.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 0.786 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.42 85.69 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.4 m -98.11 162.11 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.495 ' HG3' HG23 ' A' ' 105' ' ' VAL . 33.6 mtt180 -131.61 123.98 28.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.566 HD11 ' OD1' ' A' ' 100' ' ' ASP . 5.7 tp -83.54 114.61 21.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.432 ' N ' HD12 ' A' ' 21' ' ' LEU . 9.1 mt -100.4 145.5 28.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.482 ' HD3' ' CG ' ' A' ' 98' ' ' TRP . 17.1 ttm105 -120.93 111.76 17.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.642 HD12 HD12 ' A' ' 101' ' ' LEU . 17.1 mt -96.9 148.73 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -90.69 145.39 24.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.571 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 3.1 mttt -88.79 89.74 8.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -130.83 126.85 37.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.25 -71.33 0.09 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.457 1.098 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 27' ' ' GLU . 3.6 m 177.29 147.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.777 . . . . 0.0 110.026 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.668 HD21 HD21 ' A' ' 88' ' ' LEU . 9.3 tp -64.41 -60.48 3.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 58.06 68.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.673 HD11 ' CG1' ' A' ' 47' ' ' VAL . 16.7 tp -124.95 149.43 47.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -113.68 151.98 31.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.715 HD23 ' HA ' ' A' ' 47' ' ' VAL . 71.7 mt -133.21 156.78 46.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.92 ' HA ' HD21 ' A' ' 81' ' ' LEU . 17.6 pt-20 -152.51 150.97 30.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.356 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 109.61 -146.16 16.91 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 38' ' ' VAL . . . 74.58 -166.67 54.83 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.696 HG13 HG22 ' A' ' 80' ' ' THR . 2.6 m 39.98 -162.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.568 0.805 . . . . 0.0 109.348 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -83.17 50.46 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.472 ' CB ' ' CD ' ' A' ' 41' ' ' PRO . 1.0 OUTLIER -85.04 176.51 3.62 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 40' ' ' SER . 18.3 Cg_endo -74.98 -10.49 21.26 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.482 1.78 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.781 HG12 ' HG2' ' A' ' 44' ' ' LYS . 68.8 t -88.36 -57.27 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.241 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.9 25.34 58.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.781 ' HG2' HG12 ' A' ' 42' ' ' VAL . 18.3 pttt -168.11 169.16 11.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.9 t -93.46 130.59 42.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.9 m -143.27 133.59 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.715 ' HA ' HD23 ' A' ' 34' ' ' LEU . 73.8 t -59.09 117.55 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.517 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 8.5 t -70.62 -48.11 56.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.991 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.64 145.56 5.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.601 HG23 ' HB3' ' A' ' 56' ' ' ALA . 4.1 p -114.8 93.14 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.358 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -47.55 114.36 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.956 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -48.73 -23.25 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.265 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.03 43.87 3.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.099 . . . . 0.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -138.36 -166.15 10.56 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.506 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -90.39 -42.54 10.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 109.366 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.601 ' HB3' HG23 ' A' ' 50' ' ' VAL . . . -41.55 -56.08 2.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -58.94 -50.14 75.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.68 -47.26 20.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -59.26 -59.47 5.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.601 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.15 108.59 0.67 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.508 1.13 . . . . 0.0 110.96 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 162.58 -62.3 0.27 Allowed Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -87.3 124.52 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.444 0.732 . . . . 0.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.5 m -112.69 -165.03 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.517 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -89.54 151.68 21.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.4 44.81 57.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.83 179.14 4.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.585 0.815 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.69 ' O ' HG13 ' A' ' 103' ' ' VAL . 0.0 OUTLIER -102.54 97.79 7.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.315 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.4 HD13 HG22 ' A' ' 103' ' ' VAL . 6.0 mm -88.75 150.39 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.686 ' O ' HG22 ' A' ' 76' ' ' VAL . 6.4 mtm -146.07 -54.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -129.73 144.47 51.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.447 HG23 ' CD2' ' A' ' 101' ' ' LEU . 60.4 mt -120.49 109.58 26.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.76 HD22 ' HB1' ' A' ' 91' ' ' ALA . 1.9 t-20 59.03 25.1 13.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 0.0 109.266 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 107.44 -35.35 5.07 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.463 1.102 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.3 122.5 15.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.65 HG23 HG23 ' A' ' 77' ' ' THR . 15.1 mt -73.12 128.08 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.686 HG22 ' O ' ' A' ' 69' ' ' MET . 24.7 m -123.89 21.72 4.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.65 HG23 HG23 ' A' ' 75' ' ' ILE . 51.2 p -66.0 -14.71 62.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -139.86 26.99 2.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.53 ' CD2' HG12 ' A' ' 76' ' ' VAL . 0.9 OUTLIER -93.17 151.04 20.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.967 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.696 HG22 HG13 ' A' ' 38' ' ' VAL . 1.5 p -96.16 158.12 15.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.92 HD21 ' HA ' ' A' ' 35' ' ' GLU . 5.8 mt -38.78 -63.98 0.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 83' ' ' GLU . . . -46.68 -67.29 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 82' ' ' ALA . 12.9 mt-10 -38.9 -69.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -50.58 -65.83 0.49 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 84' ' ' ALA . 5.6 mt-10 -35.9 -53.52 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.327 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.37 -51.22 61.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 88' ' ' LEU . . . -48.4 -64.25 0.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.668 HD21 HD21 ' A' ' 30' ' ' LEU . 41.7 tp -40.33 -56.8 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -51.03 -55.23 18.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 93' ' ' ASN . 20.4 mttp -43.54 -65.7 0.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.76 ' HB1' HD22 ' A' ' 72' ' ' ASN . . . -39.89 -37.58 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.571 ' CZ2' ' HA ' ' A' ' 26' ' ' LYS . 24.2 t-105 -75.34 -50.07 17.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 107.99 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 90' ' ' LYS . 56.6 m-80 -55.36 -42.47 73.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 93' ' ' ASN . 24.8 mt-30 -35.81 -46.35 0.44 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.441 ' O ' ' NZ ' ' A' ' 26' ' ' LYS . . . 120.67 -91.65 0.49 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 95' ' ' GLY . . . 44.77 -170.57 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -98.23 -44.33 6.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 0.759 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.482 ' CG ' ' HD3' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -142.02 171.03 14.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 107.987 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.504 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 12.1 tt -118.99 160.5 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.566 ' OD1' HD11 ' A' ' 21' ' ' LEU . 1.9 m-20 -120.56 135.9 54.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.642 HD12 HD12 ' A' ' 24' ' ' ILE . 53.7 mt -131.71 120.81 23.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 15.7 t -90.41 111.53 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.69 HG13 ' O ' ' A' ' 67' ' ' GLU . 3.4 t -134.01 145.37 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.429 ' HB3' ' HB3' ' A' ' 67' ' ' GLU . . . -87.89 154.52 20.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.495 HG23 ' HG3' ' A' ' 20' ' ' ARG . 38.3 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.476 ' HB1' HD12 ' A' ' 14' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.5 p -122.97 -49.77 1.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.385 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -43.27 -54.54 4.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.496 ' HZ ' ' HB2' ' A' ' 70' ' ' ALA . 23.8 m-85 -72.62 140.55 48.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.1 170.66 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.005 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -36.21 2.65 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.587 1.835 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.38 12.14 10.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.315 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -108.27 -12.54 15.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.476 HD12 ' HB1' ' A' ' 6' ' ' ALA . 4.4 pt -125.34 -46.58 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.65 124.55 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.06 -26.95 20.5 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -88.1 168.22 12.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -126.73 92.02 3.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 103' ' ' VAL . 1.3 p -119.05 153.14 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.401 ' HG3' HG23 ' A' ' 105' ' ' VAL . 1.1 mtp180 -136.01 178.13 7.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.858 HD13 HG22 ' A' ' 102' ' ' VAL . 30.8 tp -129.13 121.94 28.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.533 HD11 HG11 ' A' ' 62' ' ' VAL . 6.8 mt -107.18 144.03 34.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.31 117.56 30.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.838 HD12 HD12 ' A' ' 101' ' ' LEU . 5.5 mt -99.37 154.92 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.7 ttpp -89.98 147.45 23.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.544 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 19.4 mttt -97.12 93.06 6.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -130.02 124.39 32.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.1 -78.32 0.29 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -156.21 -172.93 4.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 110.031 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.522 ' HB2' ' CD2' ' A' ' 92' ' ' TRP . 19.1 tp -91.33 -69.36 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.64 83.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.648 HD11 HG13 ' A' ' 47' ' ' VAL . 11.0 tp -149.18 130.45 14.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.99 137.28 32.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.1 mt -124.7 157.87 34.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.737 ' HA ' HD21 ' A' ' 81' ' ' LEU . 12.0 pt-20 -154.49 157.07 37.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.355 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.648 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . 97.79 -135.84 12.41 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.856 ' O ' HG12 ' A' ' 38' ' ' VAL . . . 54.98 170.77 0.06 OUTLIER Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.856 HG12 ' O ' ' A' ' 37' ' ' GLY . 2.4 p 55.22 -158.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.718 ' H ' HG22 ' A' ' 38' ' ' VAL . 73.9 m-20 -70.15 56.8 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.59 1.181 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.566 ' HB2' HG12 ' A' ' 42' ' ' VAL . 6.4 p -97.38 161.44 26.0 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.058 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.434 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.2 Cg_endo -75.0 -4.77 15.9 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.467 1.772 . . . . 0.0 110.99 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.852 HG22 ' HG3' ' A' ' 44' ' ' LYS . 1.5 p -88.77 -38.15 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.92 3.95 88.22 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.852 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -155.0 -171.26 3.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 0.765 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.9 t -104.31 139.12 26.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.501 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 3.6 m -146.36 133.74 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.648 HG13 HD11 ' A' ' 32' ' ' LEU . 82.1 t -61.48 127.29 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.493 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 29.1 t -81.96 -46.39 14.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.39 145.35 5.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.49 HG22 HD13 ' A' ' 32' ' ' LEU . 53.9 t -106.13 89.69 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -40.18 123.23 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -66.5 -13.65 61.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -100.3 63.45 0.62 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -167.9 -164.29 23.33 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.627 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -91.29 -36.42 13.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.43 -60.05 2.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -50.45 -54.1 24.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.81 -59.11 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -47.56 -60.79 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.576 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.59 -140.46 24.35 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.128 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.15 -57.91 4.0 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.533 HG11 HD11 ' A' ' 22' ' ' LEU . 17.1 m -117.53 168.67 8.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 0.742 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 33.7 m -131.98 -173.84 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.493 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -59.85 159.66 8.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.17 -23.5 31.28 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.548 1.155 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.875 ' HB3' HG11 ' A' ' 103' ' ' VAL . 1.5 m-20 -40.17 146.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.787 ' C ' HG13 ' A' ' 103' ' ' VAL . 9.3 mt-10 -88.56 93.01 9.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.707 HD13 HG22 ' A' ' 103' ' ' VAL . 22.1 mm -70.94 149.39 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.631 ' O ' HG22 ' A' ' 76' ' ' VAL . 3.8 mtm -146.2 -54.83 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.575 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -125.71 130.83 52.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.74 HD13 ' HB2' ' A' ' 88' ' ' LEU . 83.9 mt -109.53 107.59 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.673 HD22 ' HB1' ' A' ' 91' ' ' ALA . 3.9 t-20 58.4 29.89 18.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 103.21 -41.71 2.06 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.454 1.097 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.71 128.1 34.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.477 HG23 HG23 ' A' ' 77' ' ' THR . 12.5 mt -74.12 125.53 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.631 HG22 ' O ' ' A' ' 69' ' ' MET . 13.3 m -123.69 23.1 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.477 HG23 HG23 ' A' ' 75' ' ' ILE . 32.0 p -54.89 -62.91 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.42 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -101.59 39.23 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.455 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -93.27 157.95 16.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.989 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.591 HG22 ' CB ' ' A' ' 38' ' ' VAL . 3.0 p -99.17 158.57 15.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.387 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.737 HD21 ' HA ' ' A' ' 35' ' ' GLU . 4.6 mt -40.94 -62.65 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 83' ' ' GLU . . . -47.26 -66.86 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.36 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.455 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 66.4 mt-10 -37.49 -69.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -52.31 -66.24 0.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 81' ' ' LEU . 7.7 mt-10 -37.69 -68.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.339 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.58 -61.2 2.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 83' ' ' GLU . . . -40.16 -67.53 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.74 ' HB2' HD13 ' A' ' 71' ' ' ILE . 18.6 tp -40.54 -50.46 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 92' ' ' TRP . 4.3 mm-40 -56.33 -57.68 11.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 89' ' ' GLN . 52.3 mttt -38.25 -52.29 1.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.673 ' HB1' HD22 ' A' ' 72' ' ' ASN . . . -51.51 -50.18 60.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.708 ' CZ3' HG21 ' A' ' 99' ' ' ILE . 7.7 t-105 -64.43 -48.22 76.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 107.999 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 94' ' ' GLN . 3.2 m-80 -46.42 -44.51 17.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 93' ' ' ASN . 20.3 mt-30 -37.41 -45.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 95.84 42.18 3.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.522 1.139 . . . . 0.0 110.964 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -78.45 179.87 51.64 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -84.67 -43.59 14.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 109.324 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -141.56 172.79 12.2 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.708 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 4.0 tt -141.39 133.88 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.725 ' HB3' HD11 ' A' ' 21' ' ' LEU . 1.2 m-20 -95.62 136.7 35.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.838 HD12 HD12 ' A' ' 24' ' ' ILE . 75.7 mt -129.25 119.64 24.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.858 HG22 HD13 ' A' ' 21' ' ' LEU . 38.5 t -91.71 117.62 35.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.875 HG11 ' HB3' ' A' ' 66' ' ' ASP . 35.9 t -139.33 147.74 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 109.247 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.466 ' HB3' ' HB2' ' A' ' 67' ' ' GLU . . . -87.14 148.21 25.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.401 HG23 ' HG3' ' A' ' 20' ' ' ARG . 52.9 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.3 t -60.41 -45.75 92.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.411 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.28 -38.55 19.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -97.48 172.2 7.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.51 155.82 73.66 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -16.08 20.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.47 1.774 . . . . 0.0 110.959 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.78 15.81 28.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -117.23 -55.7 2.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.6 pt -66.43 -44.45 90.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.34 136.73 12.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.16 -42.08 2.76 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -79.48 172.54 13.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 0.739 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.39 98.42 5.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.405 ' HA ' ' HA ' ' A' ' 104' ' ' ALA . 0.4 OUTLIER -132.07 158.05 43.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.409 ' HG3' ' CG2' ' A' ' 105' ' ' VAL . 6.9 mtp180 -144.73 175.25 10.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.273 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.537 HD13 HG22 ' A' ' 102' ' ' VAL . 10.3 tp -114.9 117.56 31.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.751 HD12 HG23 ' A' ' 62' ' ' VAL . 75.7 mt -103.33 136.62 42.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.436 ' O ' ' NE2' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -112.17 125.22 53.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.302 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.69 HD12 HD12 ' A' ' 101' ' ' LEU . 21.7 mt -105.83 153.71 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -97.9 144.76 27.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.573 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 1.9 mttt -90.08 87.83 7.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -126.92 118.19 24.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.72 -76.15 1.76 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -168.89 172.26 7.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 109.986 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.517 ' HB2' ' CD2' ' A' ' 92' ' ' TRP . 36.5 tp -79.08 -85.3 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.584 1.178 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 69.52 87.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.349 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.672 HD11 HG22 ' A' ' 50' ' ' VAL . 30.3 tp -147.13 130.67 16.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.12 130.82 38.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.2 mt -119.03 157.25 28.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.726 ' CA ' HD21 ' A' ' 81' ' ' LEU . 13.1 pt-20 -156.35 162.51 40.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.327 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.661 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . 92.57 -138.06 13.99 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.88 ' O ' HG12 ' A' ' 38' ' ' VAL . . . 54.84 172.01 0.07 OUTLIER Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.88 HG12 ' O ' ' A' ' 37' ' ' GLY . 2.6 p 55.52 -158.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.74 ' H ' HG22 ' A' ' 38' ' ' VAL . 11.1 m-20 -70.04 57.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.544 ' HB2' HG12 ' A' ' 42' ' ' VAL . 9.6 p -100.19 161.55 23.82 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.003 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.446 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.3 Cg_endo -75.03 -10.0 20.98 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.865 HG22 ' HG3' ' A' ' 44' ' ' LYS . 1.5 p -82.51 -38.42 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.349 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.29 6.21 87.72 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.865 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -157.17 -171.44 3.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 0.769 . . . . 0.0 109.319 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 43.8 t -105.66 139.58 26.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.448 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 10.3 m -146.44 133.83 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 69.0 t -60.01 123.47 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 t -74.44 -48.41 27.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.994 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.3 147.19 6.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.672 HG22 HD11 ' A' ' 32' ' ' LEU . 53.9 t -104.36 91.4 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -45.85 115.47 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -52.49 -34.79 51.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.95 66.74 3.51 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.81 177.1 41.7 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.599 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -81.2 -17.27 50.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.21 -51.7 62.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -66.42 -42.77 87.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.86 -52.84 17.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.436 ' NE2' ' O ' ' A' ' 23' ' ' ARG . 22.9 t-80 -46.48 -60.83 2.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.631 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.47 58.65 2.52 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -142.64 -61.33 0.03 OUTLIER Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.751 HG23 HD12 ' A' ' 22' ' ' LEU . 2.3 t -89.39 126.5 42.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.6 m -116.48 -163.83 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -82.31 133.28 35.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.02 -16.47 42.73 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.951 ' HB3' HG11 ' A' ' 103' ' ' VAL . 0.8 OUTLIER -53.26 141.54 23.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.811 ' O ' HG13 ' A' ' 103' ' ' VAL . 13.6 mt-10 -89.29 99.84 12.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.358 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.591 HD13 HG22 ' A' ' 103' ' ' VAL . 18.4 mm -76.87 137.93 21.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.625 ' C ' HG22 ' A' ' 76' ' ' VAL . 7.4 mtm -131.73 -44.02 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.433 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -135.96 137.89 41.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.638 HD13 ' HB2' ' A' ' 88' ' ' LEU . 83.5 mt -118.95 107.2 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.598 ' ND2' ' HB1' ' A' ' 91' ' ' ALA . 2.0 t-20 81.21 -52.71 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -175.77 -37.73 0.05 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.15 137.74 57.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.431 0.724 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.467 HG23 HG23 ' A' ' 77' ' ' THR . 10.2 mt -72.42 129.96 35.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.625 HG22 ' C ' ' A' ' 69' ' ' MET . 14.9 m -122.36 23.17 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.467 HG23 HG23 ' A' ' 75' ' ' ILE . 17.3 p -58.64 -66.05 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.32 38.19 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.524 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -94.9 160.68 14.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.159 . . . . 0.0 110.988 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.545 HG22 ' CB ' ' A' ' 38' ' ' VAL . 2.8 p -99.78 157.51 16.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 110.399 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.726 HD21 ' CA ' ' A' ' 35' ' ' GLU . 7.4 mt -40.89 -63.57 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.96 -62.43 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.524 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 4.6 mm-40 -41.93 -69.53 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -52.6 -65.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 81' ' ' LEU . 7.6 mt-10 -35.7 -66.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.359 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 87' ' ' ALA . . . -55.65 -54.13 47.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 86' ' ' ALA . . . -40.26 -63.19 0.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.638 ' HB2' HD13 ' A' ' 71' ' ' ILE . 27.8 tp -50.14 -50.32 49.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -52.34 -58.25 7.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 91' ' ' ALA . 23.3 mttt -43.46 -65.5 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.598 ' HB1' ' ND2' ' A' ' 72' ' ' ASN . . . -38.77 -59.99 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.599 ' CH2' ' HB3' ' A' ' 55' ' ' ALA . 13.7 t-105 -54.91 -51.74 65.09 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 94' ' ' GLN . 6.7 m-80 -50.1 -52.85 31.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 93' ' ' ASN . 12.7 mt-30 -35.37 -56.1 0.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 96' ' ' GLY . . . 142.45 -93.9 0.18 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.115 . . . . 0.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 95' ' ' GLY . . . 50.98 175.32 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -97.48 -43.56 7.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.484 ' CA ' ' HD2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -139.37 168.14 20.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 108.0 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.532 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 3.8 tt -127.44 148.04 32.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.568 ' O ' HD23 ' A' ' 101' ' ' LEU . 3.1 m-20 -105.23 140.71 37.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.132 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.69 HD12 HD12 ' A' ' 24' ' ' ILE . 44.9 mt -140.53 115.28 9.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.537 HG22 HD13 ' A' ' 21' ' ' LEU . 43.1 t -93.5 108.46 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.951 HG11 ' HB3' ' A' ' 66' ' ' ASP . 46.5 t -126.02 147.55 30.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.08 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' A' ' 19' ' ' VAL . . . -75.9 145.15 40.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.409 ' CG2' ' HG3' ' A' ' 20' ' ' ARG . 77.6 t . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 7' ' ' THR . 52.7 p -52.92 -36.97 60.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.4 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.941 ' HG2' HD11 ' A' ' 75' ' ' ILE . 2.1 tpp -55.1 -25.99 35.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.087 . . . . 0.0 110.967 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.54 ' CE1' HD12 ' A' ' 75' ' ' ILE . 27.4 m-85 -114.16 173.91 6.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.458 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.2 OUTLIER -89.86 175.64 3.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.022 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.458 ' CD ' ' CB ' ' A' ' 10' ' ' SER . 18.4 Cg_endo -75.04 -38.54 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -84.85 2.48 42.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -102.89 -10.1 19.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 pt -126.61 -59.11 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 63.6 -128.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.95 28.81 6.87 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -80.36 153.17 28.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 0.757 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.642 ' HB3' HG12 ' A' ' 105' ' ' VAL . 8.3 m-20 -98.93 102.39 14.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.474 ' O ' HG22 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -109.09 111.62 36.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -119.77 136.73 54.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.317 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.467 HD12 ' N ' ' A' ' 22' ' ' LEU . 12.3 tp -100.3 128.55 46.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.467 ' N ' HD12 ' A' ' 21' ' ' LEU . 8.0 mt -125.5 149.19 48.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.42 118.05 33.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.761 HD13 HD12 ' A' ' 101' ' ' LEU . 2.7 mt -98.91 155.14 3.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -90.81 142.97 27.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.544 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 4.9 mttm -92.66 70.72 4.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' SER . 4.5 tp10 -118.23 143.25 46.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.32 -76.31 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' GLU . 2.3 m -173.07 -174.16 1.03 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 0.0 110.028 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.511 ' HB2' ' CD2' ' A' ' 92' ' ' TRP . 31.4 tp -92.96 -82.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 66.58 88.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 50' ' ' VAL . 5.8 tp -149.14 132.73 16.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.76 137.51 33.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.3 mt -123.97 158.12 32.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.752 ' HA ' HD21 ' A' ' 81' ' ' LEU . 11.2 pt-20 -155.79 158.28 37.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.715 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . 97.08 -139.35 14.44 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.452 1.095 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.835 ' O ' HG12 ' A' ' 38' ' ' VAL . . . 57.94 173.75 0.37 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.835 HG12 ' O ' ' A' ' 37' ' ' GLY . 2.6 p 54.21 -157.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.769 . . . . 0.0 109.251 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.74 ' H ' HG22 ' A' ' 38' ' ' VAL . 6.9 t70 -70.31 57.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.457 ' HB2' HG12 ' A' ' 42' ' ' VAL . 19.6 p -101.51 161.33 23.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.175 . . . . 0.0 110.022 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.447 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.3 Cg_endo -75.0 -18.63 18.58 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.868 HG22 ' HG3' ' A' ' 44' ' ' LYS . 1.7 p -72.62 -39.29 60.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.89 15.24 73.79 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.868 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -162.67 -179.93 7.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 0.743 . . . . 0.0 109.275 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.4 t -100.33 136.29 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.406 HG12 ' O ' ' A' ' 66' ' ' ASP . 20.9 m -144.88 134.14 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.6 t -59.39 116.95 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.485 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 47.2 t -70.56 -46.94 62.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.034 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.63 143.53 4.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.423 ' HA ' HD12 ' A' ' 32' ' ' LEU . 92.8 t -101.15 91.29 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.166 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -49.66 123.24 7.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.447 ' HA ' ' CG ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -66.06 160.17 24.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.296 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.06 -49.13 3.01 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.55 -176.89 0.21 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.637 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -75.74 -44.47 41.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.38 -55.74 6.9 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.447 ' CG ' ' HA ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -56.68 -51.85 67.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -51.46 -48.62 62.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 110.249 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -54.55 -64.42 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.648 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.76 -151.15 21.07 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.554 1.159 . . . . 0.0 110.968 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.57 -63.59 0.63 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.695 HG23 ' CG ' ' A' ' 66' ' ' ASP . 9.5 p -88.72 130.2 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.5 m -120.29 -166.15 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.485 ' CD ' ' O ' ' A' ' 48' ' ' SER . 3.2 ttpp -79.69 142.52 35.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 104.59 -11.53 50.3 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.695 ' CG ' HG23 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -53.3 -178.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.762 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.517 ' HB2' ' HB3' ' A' ' 104' ' ' ALA . 3.9 mt-10 -131.12 70.75 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.471 HG22 HG21 ' A' ' 76' ' ' VAL . 1.3 mm -47.37 142.86 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.881 ' O ' HG22 ' A' ' 76' ' ' VAL . 88.0 mtp -131.66 -52.79 1.0 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.744 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -129.37 150.1 50.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.663 HD12 HG11 ' A' ' 76' ' ' VAL . 27.2 mt -131.64 112.4 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.532 HD22 ' HB1' ' A' ' 91' ' ' ALA . 2.8 t-20 59.75 19.71 8.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 111.19 -40.22 2.62 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.137 . . . . 0.0 110.97 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.81 137.24 45.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.755 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.941 HD11 ' HG2' ' A' ' 8' ' ' MET . 30.6 mm -85.24 130.56 35.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.881 HG22 ' O ' ' A' ' 69' ' ' MET . 13.6 m -122.98 22.84 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.855 HG23 HG23 ' A' ' 75' ' ' ILE . 38.0 p -54.36 -73.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -94.33 42.15 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.467 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.3 OUTLIER -97.86 150.38 21.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.105 . . . . 0.0 111.025 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.535 HG22 ' CB ' ' A' ' 38' ' ' VAL . 2.3 p -91.88 157.27 16.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.431 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.752 HD21 ' HA ' ' A' ' 35' ' ' GLU . 6.0 mt -39.29 -63.38 0.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.6 -64.34 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.467 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 30.8 mt-10 -39.31 -69.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -53.08 -66.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 84' ' ' ALA . 8.0 mt-10 -35.91 -57.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.303 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.53 -58.67 7.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.84 -59.0 1.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.611 ' HB2' HD13 ' A' ' 71' ' ' ILE . 8.0 tp -48.27 -58.37 4.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 90' ' ' LYS . 11.4 mm100 -52.08 -61.27 2.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 89' ' ' GLN . 9.7 mttp -37.86 -49.65 1.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.532 ' HB1' HD22 ' A' ' 72' ' ' ASN . . . -53.39 -56.27 18.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.704 ' CZ3' HG21 ' A' ' 99' ' ' ILE . 8.4 t-105 -59.44 -47.04 87.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 108.035 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 94' ' ' GLN . 3.0 m-80 -46.63 -46.97 20.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 93' ' ' ASN . 19.8 mt-30 -36.41 -58.59 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 104.44 105.74 3.04 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.449 ' CA ' ' HD3' ' A' ' 26' ' ' LYS . . . -146.66 -166.78 12.46 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -97.22 -43.25 7.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -141.34 156.34 45.85 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.704 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 11.0 tt -131.4 138.15 53.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 72' ' ' ASN . 1.1 m-20 -98.02 119.99 37.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.761 HD12 HD13 ' A' ' 24' ' ' ILE . 66.7 mt -117.82 113.9 22.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.365 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.744 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 36.8 t -83.82 118.41 31.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 66' ' ' ASP . 0.2 OUTLIER -150.28 140.92 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.626 ' HB1' ' O ' ' A' ' 18' ' ' ASP . . . -78.94 149.94 32.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.642 HG12 ' HB3' ' A' ' 18' ' ' ASP . 11.9 p . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.1 t -62.83 -31.78 72.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.401 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.7 ttm -63.14 -22.18 66.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.402 ' CE2' HG11 ' A' ' 19' ' ' VAL . 91.2 m-85 -105.88 139.97 39.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.77 162.13 12.99 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -26.16 11.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.551 1.817 . . . . 0.0 111.042 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.66 19.34 7.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 -116.95 -60.31 1.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 110.262 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.499 ' O ' ' CD ' ' A' ' 17' ' ' LYS . 2.9 pt -63.33 -56.33 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 40.09 74.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 17' ' ' LYS . . . 87.05 -42.53 3.16 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.513 1.133 . . . . 0.0 110.951 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.499 ' CD ' ' O ' ' A' ' 14' ' ' ILE . 4.8 mttt -39.7 107.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.747 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.77 102.04 8.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.626 HG22 ' HE3' ' A' ' 69' ' ' MET . 22.4 t -72.68 131.67 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.607 ' HG3' HG23 ' A' ' 105' ' ' VAL . 3.9 mtp180 -117.82 123.7 46.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.541 HD11 ' CG ' ' A' ' 100' ' ' ASP . 2.4 tp -95.54 111.48 23.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.564 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 1.6 mt -103.51 159.48 15.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -126.81 117.28 22.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.873 HD13 HD12 ' A' ' 101' ' ' LEU . 3.3 mt -108.98 140.34 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -83.77 148.94 26.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.586 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 0.6 OUTLIER -95.12 77.17 3.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 58' ' ' ARG . 1.1 tt0 -135.65 118.32 16.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.22 60.42 4.13 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 45.04 -169.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.589 HD13 ' CZ3' ' A' ' 92' ' ' TRP . 58.9 tp -106.84 -64.44 1.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 62.46 68.51 0.66 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.509 HD23 HD21 ' A' ' 88' ' ' LEU . 5.8 tp -132.9 133.07 42.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.401 ' O ' HD23 ' A' ' 34' ' ' LEU . . . -94.03 146.79 23.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 47' ' ' VAL . 19.3 mt -132.02 157.98 42.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.895 ' HA ' HD21 ' A' ' 81' ' ' LEU . 25.6 pt-20 -155.97 161.98 40.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 0.0 110.336 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.558 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . 93.59 -144.57 17.17 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . 66.85 -170.97 31.79 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.806 HG13 ' N ' ' A' ' 39' ' ' ASP . 1.8 p 36.68 -149.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 0.741 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.806 ' N ' HG13 ' A' ' 38' ' ' VAL . 56.3 m-20 -77.94 54.6 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 78.4 p -90.17 160.36 40.29 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.982 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.448 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.2 Cg_endo -74.96 -3.25 13.64 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.538 1.809 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.892 HG22 ' HG2' ' A' ' 44' ' ' LYS . 2.4 p -92.41 -40.81 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.96 11.46 84.48 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.447 1.092 . . . . 0.0 110.991 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.892 ' HG2' HG22 ' A' ' 42' ' ' VAL . 23.7 pttt -159.58 177.34 11.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 0.793 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.9 t -97.45 133.45 39.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.6 m -146.29 134.49 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.585 HG23 HD11 ' A' ' 68' ' ' ILE . 74.3 t -58.36 128.06 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.526 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 44.0 t -82.09 -45.6 15.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.43 146.14 5.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.863 HG23 ' HB3' ' A' ' 56' ' ' ALA . 1.5 p -114.13 90.11 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -45.24 116.38 1.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 111.049 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -43.09 -39.62 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.47 54.01 4.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -146.94 -167.47 13.05 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.515 ' CB ' ' CH2' ' A' ' 92' ' ' TRP . . . -91.54 -47.32 7.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.863 ' HB3' HG23 ' A' ' 50' ' ' VAL . . . -41.92 -47.71 4.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.406 ' C ' ' CD ' ' A' ' 57' ' ' GLU . 6.4 tm-20 -52.57 -54.59 30.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.333 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.403 ' CZ ' ' HB3' ' A' ' 27' ' ' GLU . 51.3 mtm180 -42.63 -54.91 3.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 22' ' ' LEU . 25.2 t-80 -40.36 -66.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.599 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' GLY . . . 85.61 -43.85 3.29 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 60' ' ' GLY . . . -37.03 -47.62 1.35 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.427 HG11 HD11 ' A' ' 22' ' ' LEU . 2.4 m -120.95 165.08 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 64' ' ' LYS . 11.2 m -144.29 -152.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.526 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -86.64 142.23 28.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.32 -25.81 22.19 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.108 . . . . 0.0 110.949 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.477 ' HB3' ' CG1' ' A' ' 103' ' ' VAL . 44.3 m-20 -51.67 -177.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.763 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.462 ' CG ' ' HE3' ' A' ' 44' ' ' LYS . 0.6 OUTLIER -120.55 106.25 11.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.613 HD13 HG22 ' A' ' 103' ' ' VAL . 6.4 mm -81.26 141.47 15.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.808 ' O ' HG22 ' A' ' 76' ' ' VAL . 25.1 mtm -129.23 -54.55 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.66 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -122.81 153.26 39.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.78 HD13 ' HB2' ' A' ' 88' ' ' LEU . 42.1 mt -132.7 107.24 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.576 HD22 ' HB1' ' A' ' 91' ' ' ALA . 3.8 t-20 63.85 16.3 9.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 113.34 -37.06 3.76 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.2 122.46 16.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 0.757 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.848 HG23 HG23 ' A' ' 77' ' ' THR . 34.5 mt -67.44 133.01 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.808 HG22 ' O ' ' A' ' 69' ' ' MET . 18.8 m -123.11 23.15 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.251 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.848 HG23 HG23 ' A' ' 75' ' ' ILE . 25.5 p -52.9 -66.2 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.43 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.59 39.44 1.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.537 ' CG ' ' HA ' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -94.84 137.96 33.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.55 HG22 HG23 ' A' ' 38' ' ' VAL . 6.1 p -80.41 157.04 26.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.425 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.895 HD21 ' HA ' ' A' ' 35' ' ' GLU . 4.1 mt -40.75 -63.21 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.36 -49.79 42.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.39 -69.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -56.87 -62.73 1.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 84' ' ' ALA . 5.0 mt-10 -38.11 -49.36 1.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.49 -61.37 1.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.78 -58.17 1.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.78 ' HB2' HD13 ' A' ' 71' ' ' ILE . 49.3 tp -50.85 -60.09 3.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -50.4 -57.43 7.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.271 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 91' ' ' ALA . 0.7 OUTLIER -40.53 -65.21 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.576 ' HB1' HD22 ' A' ' 72' ' ' ASN . . . -38.63 -58.49 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.589 ' CZ3' HD13 ' A' ' 30' ' ' LEU . 7.0 t-105 -56.33 -52.77 63.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 107.976 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 94' ' ' GLN . 16.1 m-80 -49.81 -52.45 32.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 93' ' ' ASN . 13.0 mt-30 -36.49 -55.05 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.342 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.419 ' O ' ' HD3' ' A' ' 26' ' ' LYS . . . 142.8 -94.28 0.18 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 95' ' ' GLY . . . 51.99 172.89 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -97.58 -43.63 7.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.428 ' C ' ' HD2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -139.91 175.73 9.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 107.996 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.498 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 3.7 tt -139.7 143.88 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.541 ' CG ' HD11 ' A' ' 21' ' ' LEU . 23.3 m-20 -103.58 113.09 26.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.873 HD12 HD13 ' A' ' 24' ' ' ILE . 60.1 mt -109.06 112.24 24.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.66 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 42.1 t -87.35 108.53 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.613 HG22 HD13 ' A' ' 68' ' ' ILE . 42.6 t -122.1 146.28 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.38 161.04 21.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.607 HG23 ' HG3' ' A' ' 20' ' ' ARG . 62.1 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 63.0 p -50.8 -43.66 58.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 110.419 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.412 ' HG2' HD11 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -47.37 -32.64 5.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -109.08 176.72 4.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.72 163.62 53.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.032 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -12.61 21.45 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.47 1.773 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.82 8.29 30.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.263 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -108.45 -40.16 5.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 17' ' ' LYS . 2.0 pt -80.97 -36.47 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.17 124.34 1.85 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.89 -43.74 3.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.449 1.093 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 14' ' ' ILE . 1.1 mttm -58.47 153.38 16.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 0.733 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -129.87 91.33 3.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.76 156.22 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.6 167.68 20.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 22' ' ' LEU . 12.5 tp -110.49 122.99 49.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.409 ' N ' HD12 ' A' ' 21' ' ' LEU . 33.4 mt -116.24 121.2 41.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.76 122.97 33.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.824 HD12 HD12 ' A' ' 101' ' ' LEU . 41.0 mt -107.32 125.31 63.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.241 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -66.89 138.41 57.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.58 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 2.9 mttt -86.78 83.99 7.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -135.36 121.53 20.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.09 78.65 0.13 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.132 . . . . 0.0 111.005 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.6 ' O ' ' CZ2' ' A' ' 92' ' ' TRP . 0.2 OUTLIER 41.52 -161.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 0.736 . . . . 0.0 109.987 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.853 HD13 ' CZ3' ' A' ' 92' ' ' TRP . 47.6 tp -108.22 -75.19 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 75.26 69.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.725 ' CD1' HG22 ' A' ' 50' ' ' VAL . 15.4 tp -136.02 132.45 36.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.36 141.56 34.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.452 HD22 ' O ' ' A' ' 46' ' ' VAL . 84.5 mt -128.45 160.78 31.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.963 ' HA ' HD21 ' A' ' 81' ' ' LEU . 10.3 pt-20 -153.24 171.59 18.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 97.03 -135.29 12.14 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 38' ' ' VAL . . . 48.55 -170.19 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.46 ' O ' ' O ' ' A' ' 37' ' ' GLY . 1.1 m 40.51 -163.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.269 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -76.37 53.3 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.452 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 9.5 p -93.38 165.2 18.8 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.452 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.4 Cg_endo -74.96 -4.79 15.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.532 1.807 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.906 HG12 ' HG3' ' A' ' 44' ' ' LYS . 97.1 t -88.66 -47.64 15.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.45 27.91 62.62 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.906 ' HG3' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -177.54 167.62 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.758 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.8 t -91.48 139.07 18.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.479 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 23.1 m -146.25 -166.16 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.4 t -108.89 112.25 39.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.464 1.103 . . . . 0.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.508 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 15.1 t -71.92 -46.24 58.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.51 150.36 7.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.725 HG22 ' CD1' ' A' ' 32' ' ' LEU . 24.7 t -110.96 89.75 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -46.83 122.52 4.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -64.58 160.27 19.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.09 -43.89 3.29 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.138 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.64 -168.98 0.03 OUTLIER Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.478 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -82.57 -47.39 12.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.405 ' CB ' HD13 ' A' ' 32' ' ' LEU . . . -44.47 -57.09 3.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -49.83 -54.22 20.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.82 -54.78 7.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -46.43 -65.7 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.612 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 83.13 -149.18 26.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.553 1.158 . . . . 0.0 110.966 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.25 -59.2 4.0 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.6 m -115.8 158.84 16.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.41 ' O ' ' CG ' ' A' ' 66' ' ' ASP . 19.7 m -137.68 176.17 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.508 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -40.37 147.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.34 -39.3 2.95 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.492 ' HB3' HG11 ' A' ' 103' ' ' VAL . 3.6 m-20 -42.05 157.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 109.242 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.506 ' HB3' ' HB3' ' A' ' 104' ' ' ALA . 39.3 tt0 -109.15 112.88 25.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.514 HD13 HG22 ' A' ' 103' ' ' VAL . 5.0 mm -83.03 135.42 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.781 ' O ' HG22 ' A' ' 76' ' ' VAL . 80.6 mtp -120.81 -50.94 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 74' ' ' LYS . . . -134.67 139.67 45.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.629 HG23 ' CD2' ' A' ' 101' ' ' LEU . 33.7 mt -115.23 117.76 56.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 100' ' ' ASP . 1.1 t-20 51.53 22.34 1.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.409 ' O ' ' SD ' ' A' ' 8' ' ' MET . . . 114.44 -44.83 1.41 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 111.041 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -41.7 153.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 109.333 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.662 HG23 HG23 ' A' ' 77' ' ' THR . 12.1 mm -100.45 118.15 46.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.781 HG22 ' O ' ' A' ' 69' ' ' MET . 11.4 m -123.64 22.73 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.662 HG23 HG23 ' A' ' 75' ' ' ILE . 34.2 p -60.05 -34.1 72.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.366 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -133.34 37.13 3.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.352 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.566 ' CE1' ' O ' ' A' ' 75' ' ' ILE . 0.8 OUTLIER -89.0 167.62 13.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.944 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.41 HG22 HG13 ' A' ' 38' ' ' VAL . 1.2 p -107.11 157.01 18.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.392 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.963 HD21 ' HA ' ' A' ' 35' ' ' GLU . 6.7 mt -41.87 -63.08 0.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.48 -64.04 0.89 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -39.93 -69.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -52.8 -65.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 81' ' ' LEU . 5.6 mt-10 -37.41 -40.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 110.353 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.16 -57.79 3.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.09 -61.42 1.77 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.548 ' HB2' HD13 ' A' ' 71' ' ' ILE . 32.3 tp -40.96 -50.01 3.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 92' ' ' TRP . 9.9 mm100 -59.16 -64.49 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 89' ' ' GLN . 61.8 mttt -38.32 -50.67 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.95 -50.63 60.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.853 ' CZ3' HD13 ' A' ' 30' ' ' LEU . 15.1 t-105 -64.63 -50.39 67.33 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 94' ' ' GLN . 13.8 m-80 -43.73 -43.76 6.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 93' ' ' ASN . 13.4 mt-30 -36.53 -53.51 0.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.256 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 94.92 104.87 1.95 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.439 1.087 . . . . 0.0 111.043 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.477 ' CA ' ' HD3' ' A' ' 26' ' ' LYS . . . -148.33 -164.67 11.55 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.422 ' HB3' ' CD1' ' A' ' 98' ' ' TRP . 1.3 t0 -97.49 -43.86 7.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.422 ' CD1' ' HB3' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -141.67 146.94 36.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 107.99 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.679 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 12.2 tt -119.31 138.12 51.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 72' ' ' ASN . 1.1 m-20 -92.06 130.69 37.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.824 HD12 HD12 ' A' ' 24' ' ' ILE . 22.1 mt -134.54 112.68 11.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 21.9 t -80.75 124.68 38.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.514 HG22 HD13 ' A' ' 68' ' ' ILE . 8.9 t -136.88 141.89 39.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.506 ' HB3' ' HB3' ' A' ' 67' ' ' GLU . . . -87.2 150.67 23.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 54.0 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.455 ' HB1' HD12 ' A' ' 14' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.1 p -98.94 -45.79 5.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.361 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.96 -51.65 22.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -73.77 173.34 9.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.24 159.48 56.44 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.982 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -16.31 20.39 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.477 1.777 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -103.52 15.37 29.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -115.92 -52.89 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.455 HD12 ' HB1' ' A' ' 6' ' ' ALA . 2.2 pt -67.28 -41.29 86.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.29 126.51 11.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.05 -48.41 1.14 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.454 1.096 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -72.98 168.39 19.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 0.792 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.501 ' HB3' HG12 ' A' ' 105' ' ' VAL . 71.1 m-20 -115.68 86.1 2.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 39.4 t -82.87 123.73 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.9 mtt180 -126.41 123.64 38.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.889 HD11 ' CG ' ' A' ' 100' ' ' ASP . 21.1 tp -92.86 116.88 29.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.468 HD11 HG21 ' A' ' 62' ' ' VAL . 15.3 mt -104.9 148.35 26.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.574 ' NH1' ' CD2' ' A' ' 98' ' ' TRP . 2.3 ttm-85 -116.8 109.28 16.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.256 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.502 ' O ' ' CB ' ' A' ' 98' ' ' TRP . 69.4 mt -96.82 153.17 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -93.04 138.96 31.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.58 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 29.4 mttt -88.09 80.62 7.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.164 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 29' ' ' SER . 7.8 tp10 -121.53 137.6 54.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.96 -79.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.563 ' O ' ' CZ2' ' A' ' 92' ' ' TRP . 1.2 p -156.63 -170.77 3.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 0.762 . . . . 0.0 110.02 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.585 HD13 ' CE3' ' A' ' 92' ' ' TRP . 35.5 tp -96.78 -61.45 1.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 53.09 84.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.491 HD23 HD21 ' A' ' 88' ' ' LEU . 49.4 tp -149.25 131.59 15.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.25 137.5 33.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 47' ' ' VAL . 37.0 mt -127.52 154.97 44.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.964 ' HA ' HD21 ' A' ' 81' ' ' LEU . 13.0 pt-20 -156.5 155.43 31.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.529 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . 105.4 -152.65 17.24 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.469 1.105 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . 65.72 -168.8 31.28 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.796 HG13 ' N ' ' A' ' 39' ' ' ASP . 1.7 p 36.25 -148.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.796 ' N ' HG13 ' A' ' 38' ' ' VAL . 9.1 t0 -78.47 52.54 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 96.1 p -92.2 158.87 38.48 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.3 Cg_endo -74.94 3.41 5.61 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.847 HG22 ' HG3' ' A' ' 44' ' ' LYS . 1.4 p -103.48 -45.15 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.43 9.61 81.38 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.847 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -157.84 167.66 29.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.747 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.6 t -85.35 137.22 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 15.5 m -146.99 134.55 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.459 ' HA ' HD23 ' A' ' 34' ' ' LEU . 72.2 t -58.34 119.92 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.511 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 3.3 t -75.96 -46.4 29.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.025 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.92 145.58 5.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.3 t -101.11 89.85 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -40.24 135.55 1.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -83.49 138.52 33.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.34 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 103.96 -39.35 2.84 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -57.07 -170.53 0.15 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.644 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -86.07 -31.42 21.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.18 -55.52 32.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -58.41 -46.48 86.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.349 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.66 -51.38 12.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.451 ' CG ' HG12 ' A' ' 24' ' ' ILE . 30.3 t-80 -52.55 -65.58 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.558 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.425 ' O ' ' ND1' ' A' ' 59' ' ' HIS . . . 78.28 -169.9 54.63 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.122 . . . . 0.0 111.045 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.23 -30.12 8.05 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.468 HG21 HD11 ' A' ' 22' ' ' LEU . 2.0 t -131.57 157.8 43.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.4 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 26.8 m -125.23 -166.02 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.511 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.1 OUTLIER -77.88 167.75 21.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.65 -0.4 89.21 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.973 ' HB3' HG21 ' A' ' 103' ' ' VAL . 0.5 OUTLIER -57.58 154.41 11.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.967 ' C ' HG23 ' A' ' 103' ' ' VAL . 3.4 mt-10 -93.1 73.08 4.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.606 HD13 ' HB ' ' A' ' 103' ' ' VAL . 15.4 mm -58.09 142.66 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.659 ' O ' HG22 ' A' ' 76' ' ' VAL . 25.1 mtm -142.12 -45.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.719 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -136.44 137.05 40.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.741 HD12 HG11 ' A' ' 76' ' ' VAL . 29.6 mt -116.6 108.56 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 71' ' ' ILE . 1.7 t-20 82.48 -52.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -176.55 -37.31 0.05 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.2 tptt -64.88 141.29 58.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 0.752 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.816 HG23 HG23 ' A' ' 77' ' ' THR . 26.5 mt -78.68 132.12 32.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.741 HG11 HD12 ' A' ' 71' ' ' ILE . 11.6 m -122.63 22.95 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.816 HG23 HG23 ' A' ' 75' ' ' ILE . 40.8 p -57.56 -64.93 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.407 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -97.35 40.46 1.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.563 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.3 OUTLIER -100.11 152.01 20.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.557 HG22 HG23 ' A' ' 38' ' ' VAL . 6.6 p -90.18 153.53 20.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.416 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.964 HD21 ' HA ' ' A' ' 35' ' ' GLU . 5.1 mt -39.9 -64.72 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -45.82 -55.09 7.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.563 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -45.78 -69.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -54.94 -63.08 1.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 84' ' ' ALA . 22.5 mt-10 -36.49 -47.25 0.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 110.326 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.09 -61.2 1.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.2 -51.9 2.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.627 ' HB2' HD13 ' A' ' 71' ' ' ILE . 4.6 tp -56.21 -62.93 1.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.578 ' OE1' HD23 ' A' ' 30' ' ' LEU . 13.8 mm100 -48.32 -50.61 29.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 89' ' ' GLN . 23.6 mttt -39.73 -58.74 1.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.409 ' O ' ' NZ ' ' A' ' 26' ' ' LYS . . . -46.29 -44.2 16.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.644 ' CH2' ' HB3' ' A' ' 55' ' ' ALA . 5.3 t-105 -68.65 -48.88 62.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 108.021 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 94' ' ' GLN . 5.3 m-80 -53.46 -45.53 69.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 93' ' ' ASN . 14.0 mt-30 -36.46 -43.42 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.275 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 95.0 66.48 1.0 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.443 1.089 . . . . 0.0 111.034 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -106.49 -166.18 22.73 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -97.83 -44.87 6.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.766 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.574 ' CD2' ' NH1' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -142.6 175.48 9.77 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.495 HG23 ' HB ' ' A' ' 24' ' ' ILE . 5.5 tt -140.77 140.93 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.889 ' CG ' HD11 ' A' ' 21' ' ' LEU . 1.7 m-20 -100.23 143.02 30.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.455 HD11 HD12 ' A' ' 24' ' ' ILE . 75.1 mt -128.35 126.04 39.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.719 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 38.9 t -103.12 99.4 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.973 HG21 ' HB3' ' A' ' 66' ' ' ASP . 3.5 p -146.27 147.27 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 18' ' ' ASP . . . -69.8 143.88 52.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.501 HG12 ' HB3' ' A' ' 18' ' ' ASP . 9.0 p . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.344 -0.614 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.8 p -105.51 -38.87 6.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.407 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.459 ' O ' HD11 ' A' ' 75' ' ' ILE . 3.2 mpp? -89.51 43.96 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 111.052 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -146.53 164.47 32.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.79 161.18 78.8 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.027 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -27.75 9.86 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.9 16.8 13.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -116.87 -53.63 2.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.3 pt -68.95 -41.26 81.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.31 124.45 6.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.27 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.8 -41.05 3.04 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -62.03 161.16 11.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 109.299 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.54 86.07 2.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 92.6 t -95.86 131.01 43.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.439 ' HG3' HG23 ' A' ' 105' ' ' VAL . 7.9 mtp180 -132.37 132.3 42.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.671 HD12 ' N ' ' A' ' 22' ' ' LEU . 1.8 tp -90.77 119.72 31.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.671 ' N ' HD12 ' A' ' 21' ' ' LEU . 9.1 mt -113.29 144.56 42.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.5 ttp-105 -120.39 115.59 23.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.747 HD12 HD12 ' A' ' 101' ' ' LEU . 53.7 mt -98.25 155.04 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -89.79 144.83 25.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.253 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.537 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 16.5 mttt -96.33 76.9 2.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -121.84 133.08 54.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.82 -76.17 0.71 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 2.6 m -169.92 -175.07 1.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.771 . . . . 0.0 110.002 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.693 HD23 HE21 ' A' ' 89' ' ' GLN . 27.1 tp -91.65 -85.98 0.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 72.21 87.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.512 ' CD1' HG22 ' A' ' 50' ' ' VAL . 6.1 tp -149.62 130.19 13.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.408 ' O ' HD23 ' A' ' 34' ' ' LEU . . . -94.33 151.73 19.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.582 ' C ' HD21 ' A' ' 81' ' ' LEU . 83.2 mt -132.99 158.35 42.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.55 ' O ' HG22 ' A' ' 46' ' ' VAL . 16.8 pt-20 -156.34 142.27 18.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 110.272 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.548 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . 108.42 -138.76 14.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . 60.75 -165.51 14.31 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.764 HG13 ' N ' ' A' ' 39' ' ' ASP . 2.9 p 33.41 -145.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.775 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.764 ' N ' HG13 ' A' ' 38' ' ' VAL . 4.7 p-10 -80.39 52.16 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 96.3 p -88.07 160.33 46.39 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.588 1.18 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.447 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.4 Cg_endo -74.96 -2.61 12.76 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.529 1.805 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.902 HG22 ' HG3' ' A' ' 44' ' ' LYS . 3.0 p -94.39 -41.2 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.42 -1.99 86.18 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.902 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -146.29 162.26 38.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 0.782 . . . . 0.0 109.237 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.8 t -79.45 139.53 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 35' ' ' GLU . 17.0 m -146.94 134.46 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.18 128.78 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.6 t -80.22 -47.56 14.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.966 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.86 151.79 7.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.523 HG21 ' O ' ' A' ' 62' ' ' VAL . 52.9 t -108.97 89.74 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 -41.37 120.93 1.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.49 -21.2 66.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -98.01 55.65 1.14 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.59 -165.07 13.83 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.608 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -90.58 -32.77 16.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.55 -57.59 7.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' ARG . 8.5 tm-20 -54.01 -52.68 60.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -38.16 -58.49 0.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.493 ' CG ' HG12 ' A' ' 24' ' ' ILE . 41.7 t-80 -50.29 -64.11 0.91 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 0.0 109.595 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.75 68.35 1.48 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.547 1.154 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -139.81 -59.18 0.04 OUTLIER Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.523 ' O ' HG21 ' A' ' 50' ' ' VAL . 11.4 p -90.81 124.29 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.439 HG23 ' N ' ' A' ' 64' ' ' LYS . 2.8 m -103.88 -165.17 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.439 ' N ' HG23 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -84.87 149.05 25.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.52 45.83 82.0 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.71 -172.25 3.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.667 ' HB2' ' HB3' ' A' ' 104' ' ' ALA . 59.5 mt-10 -115.84 56.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.8 mm -54.32 139.44 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.706 ' O ' HG22 ' A' ' 76' ' ' VAL . 22.8 mtm -134.82 -51.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.679 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -127.28 152.66 47.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.837 HD13 ' HB2' ' A' ' 88' ' ' LEU . 26.5 mt -126.96 115.36 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 49.85 23.89 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 115.31 -56.73 0.5 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.428 1.08 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.1 126.89 11.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.677 HG23 HG23 ' A' ' 77' ' ' THR . 25.9 mt -73.15 133.8 31.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.706 HG22 ' O ' ' A' ' 69' ' ' MET . 16.0 m -122.64 23.13 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.677 HG23 HG23 ' A' ' 75' ' ' ILE . 9.1 p -54.01 -79.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.392 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -90.59 41.54 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.432 ' CG ' ' HA ' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -98.59 156.05 16.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.513 HG22 ' CB ' ' A' ' 38' ' ' VAL . 11.3 p -96.66 154.23 17.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.331 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.582 HD21 ' C ' ' A' ' 34' ' ' LEU . 2.0 mt -38.55 -65.99 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 83' ' ' GLU . . . -41.28 -66.87 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -37.2 -70.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.334 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -53.41 -58.76 5.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 81' ' ' LEU . 11.7 mm-40 -36.79 -57.96 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.254 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.32 -56.08 11.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.26 -49.61 2.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.837 ' HB2' HD13 ' A' ' 71' ' ' ILE . 38.4 tp -63.92 -57.06 10.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.693 HE21 HD23 ' A' ' 30' ' ' LEU . 4.5 mm-40 -49.92 -60.0 3.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 89' ' ' GLN . 25.6 mttt -37.85 -51.83 1.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 88' ' ' LEU . . . -51.74 -50.78 59.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.679 ' CZ3' HG21 ' A' ' 99' ' ' ILE . 8.1 t-105 -64.4 -48.94 73.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 108.014 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 94' ' ' GLN . 3.0 m-80 -44.28 -42.62 6.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 93' ' ' ASN . 26.5 mt-30 -38.23 -43.64 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.68 29.75 10.47 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -66.8 -174.63 6.42 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.422 ' HB2' ' CE2' ' A' ' 98' ' ' TRP . 1.3 m-20 -88.44 -43.11 11.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 0.749 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.422 ' CE2' ' HB2' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -141.15 174.92 10.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 107.975 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.679 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 5.8 tt -142.23 137.89 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.57 ' CG ' HD11 ' A' ' 21' ' ' LEU . 9.1 m-20 -97.41 138.84 34.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.747 HD12 HD12 ' A' ' 24' ' ' ILE . 49.8 mt -128.12 128.72 45.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.679 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 59.1 t -101.46 100.69 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 104' ' ' ALA . 0.2 OUTLIER -144.66 136.09 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.667 ' HB3' ' HB2' ' A' ' 67' ' ' GLU . . . -62.1 -178.42 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.439 HG23 ' HG3' ' A' ' 20' ' ' ARG . 76.8 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.2 p -47.13 -45.27 22.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.384 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.7 ttm -54.31 -27.16 33.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 111.041 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -108.16 141.1 40.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.14 157.94 5.59 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 110.001 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -17.36 19.63 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -101.04 16.75 24.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.103 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -116.74 -53.96 2.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.5 pt -66.95 -40.33 85.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.27 119.92 2.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.54 -43.0 3.08 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -57.57 173.19 0.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 0.758 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -131.61 88.62 2.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.1 t -104.28 147.18 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.549 ' HG3' HG23 ' A' ' 105' ' ' VAL . 17.0 mtt180 -144.27 121.85 11.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.623 HD12 ' O ' ' A' ' 101' ' ' LEU . 27.2 tp -102.81 129.45 49.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 mt -123.15 152.66 40.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 109.32 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.04 128.81 55.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.732 HD12 HD12 ' A' ' 101' ' ' LEU . 51.6 mt -120.33 149.75 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.88 148.2 32.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.577 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 20.6 mttt -94.72 77.82 3.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.642 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 1.7 tp10 -130.85 155.28 46.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 40.54 58.65 2.48 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.447 ' C ' ' NE1' ' A' ' 92' ' ' TRP . 0.6 OUTLIER 48.21 -167.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.748 . . . . 0.0 109.992 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.531 HD13 ' CE3' ' A' ' 92' ' ' TRP . 43.8 tp -97.01 -69.93 0.74 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 70.55 61.54 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.709 HD23 HD21 ' A' ' 88' ' ' LEU . 29.8 tp -134.41 146.36 49.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -114.4 154.42 28.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 47' ' ' VAL . 52.7 mt -132.7 155.18 49.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.933 ' HA ' HD21 ' A' ' 81' ' ' LEU . 12.2 pt-20 -156.35 144.92 20.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.06 -143.95 18.28 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.486 1.117 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 38' ' ' VAL . . . 52.62 -166.39 1.22 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.807 HG13 ' N ' ' A' ' 39' ' ' ASP . 1.3 p 36.31 -151.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 0.79 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.807 ' N ' HG13 ' A' ' 38' ' ' VAL . 7.4 p-10 -80.74 51.9 1.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.3 p -97.62 161.12 26.9 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -4.72 15.82 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.869 HG12 ' HG2' ' A' ' 44' ' ' LYS . 78.2 t -90.19 -46.37 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.55 23.37 77.11 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.869 ' HG2' HG12 ' A' ' 42' ' ' VAL . 25.9 pttt -168.76 169.6 9.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 0.785 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.1 t -91.46 128.95 42.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 35' ' ' GLU . 28.0 m -144.66 134.58 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.643 HG13 HD11 ' A' ' 32' ' ' LEU . 38.4 t -58.48 114.81 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.477 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 3.4 t -64.35 -47.71 78.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.024 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.38 146.68 6.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.49 HG23 HG11 ' A' ' 47' ' ' VAL . 55.9 t -108.99 93.31 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -52.03 135.62 30.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.07 -11.8 60.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.303 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -100.47 56.45 0.8 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.575 1.172 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -161.5 -170.19 25.84 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.661 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -86.05 -36.41 19.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.33 -59.97 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 58' ' ' ARG . 12.4 tm-20 -53.68 -52.17 60.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -38.5 -46.31 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.258 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.512 ' CG ' HG12 ' A' ' 24' ' ' ILE . 53.5 t-80 -71.47 -64.98 0.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.572 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.75 -109.36 3.83 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.543 1.152 . . . . 0.0 110.96 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 55.01 -91.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.42 HG22 ' N ' ' A' ' 63' ' ' VAL . 10.7 p -87.56 165.09 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.755 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.42 ' N ' HG22 ' A' ' 62' ' ' VAL . 29.7 m -132.54 -166.15 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.477 ' CD ' ' O ' ' A' ' 48' ' ' SER . 1.4 ttpt -66.74 159.2 28.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.84 -12.09 58.08 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.861 ' HB2' HG21 ' A' ' 103' ' ' VAL . 2.3 p-10 -54.51 167.0 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 0.763 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.683 ' C ' HG23 ' A' ' 103' ' ' VAL . 23.2 mt-10 -118.29 90.1 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.524 HG23 ' O ' ' A' ' 102' ' ' VAL . 0.9 OUTLIER -74.53 137.19 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.764 ' O ' HG22 ' A' ' 76' ' ' VAL . 65.0 mtp -110.03 -40.44 4.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 1.07 ' HB3' ' CG1' ' A' ' 102' ' ' VAL . . . -126.96 171.92 10.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.584 HD12 HG11 ' A' ' 76' ' ' VAL . 74.6 mt -146.21 107.24 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.655 HD22 ' HB1' ' A' ' 91' ' ' ALA . 6.0 t-20 42.52 32.27 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.483 ' O ' ' CG ' ' A' ' 74' ' ' LYS . . . 90.65 73.58 1.27 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.554 1.159 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.908 ' O ' HG13 ' A' ' 76' ' ' VAL . 0.7 OUTLIER -173.77 102.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.26 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.652 HG23 HG23 ' A' ' 77' ' ' THR . 22.0 mm -51.14 117.56 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.908 HG13 ' O ' ' A' ' 74' ' ' LYS . 8.8 m -121.5 22.38 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.652 HG23 HG23 ' A' ' 75' ' ' ILE . 55.8 p -51.68 -57.8 8.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.426 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.6 40.49 2.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.539 ' CG ' ' HA ' ' A' ' 76' ' ' VAL . 0.3 OUTLIER -85.29 177.99 7.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.432 HG22 ' CA ' ' A' ' 38' ' ' VAL . 2.3 p -115.0 152.56 32.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.415 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.933 HD21 ' HA ' ' A' ' 35' ' ' GLU . 4.4 mt -40.73 -63.14 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -43.93 -65.88 0.45 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -39.13 -69.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.287 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -51.92 -65.76 0.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 81' ' ' LEU . 5.4 mt-10 -37.1 -58.65 0.78 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.05 -63.55 1.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.56 -63.57 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.709 HD21 HD23 ' A' ' 32' ' ' LEU . 59.4 tp -44.48 -57.53 3.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 90' ' ' LYS . 57.3 mm-40 -51.43 -60.11 3.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 89' ' ' GLN . 0.9 OUTLIER -39.59 -52.82 2.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.655 ' HB1' HD22 ' A' ' 72' ' ' ASN . . . -47.12 -72.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.695 ' CZ3' HG21 ' A' ' 99' ' ' ILE . 5.3 t-105 -49.46 -49.1 46.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 108.018 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 94' ' ' GLN . 6.1 m-20 -44.51 -49.15 10.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 93' ' ' ASN . 21.5 mt-30 -35.78 -56.58 0.69 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 108.68 43.96 1.18 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.405 ' CA ' ' HD3' ' A' ' 26' ' ' LYS . . . -77.91 -174.27 42.28 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -90.32 -43.88 10.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 0.734 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -142.23 174.06 10.95 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.695 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 5.3 tt -143.64 133.07 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.591 ' HB3' HD11 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -88.94 126.53 35.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.732 HD12 HD12 ' A' ' 24' ' ' ILE . 39.8 mt -114.32 122.88 48.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 1.07 ' CG1' ' HB3' ' A' ' 70' ' ' ALA . 0.2 OUTLIER -108.66 124.33 65.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.861 HG21 ' HB2' ' A' ' 66' ' ' ASP . 0.8 OUTLIER -153.98 144.57 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.451 ' O ' HG22 ' A' ' 103' ' ' VAL . . . -70.52 169.56 13.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.549 HG23 ' HG3' ' A' ' 20' ' ' ARG . 38.8 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.483 ' HB1' HD12 ' A' ' 14' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.2 p -122.35 -41.65 2.39 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.543 1.152 . . . . 0.0 110.416 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -52.02 -52.45 50.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -73.98 157.75 35.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.72 158.44 74.64 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.988 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -18.23 18.88 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.537 1.809 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.22 15.33 26.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.337 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -115.62 -51.8 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.483 HD12 ' HB1' ' A' ' 6' ' ' ALA . 2.3 pt -69.66 -43.36 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.56 125.59 13.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.93 -49.14 1.04 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -67.27 -177.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.754 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -133.63 85.96 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.328 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.2 t -90.29 132.48 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.493 ' HG3' HG23 ' A' ' 105' ' ' VAL . 4.3 mtp180 -125.04 121.04 33.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 22' ' ' LEU . 9.6 tp -85.87 122.65 30.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.453 ' N ' HD12 ' A' ' 21' ' ' LEU . 13.6 mt -116.2 117.13 29.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.565 ' HD2' ' CE3' ' A' ' 98' ' ' TRP . 0.0 OUTLIER -93.94 120.04 33.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.656 HD12 HD12 ' A' ' 101' ' ' LEU . 85.0 mt -102.62 143.07 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.6 tttm -88.7 145.59 25.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.602 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 0.4 OUTLIER -88.13 92.15 9.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -132.33 125.86 31.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.51 -69.44 0.71 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 m -179.36 170.15 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 109.944 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.514 HD21 HD21 ' A' ' 88' ' ' LEU . 55.5 tp -78.54 -74.59 0.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 60.4 73.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 tp -137.27 131.1 31.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.56 142.28 27.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.521 HD23 ' HA ' ' A' ' 47' ' ' VAL . 28.1 mt -127.62 155.93 43.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.351 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.767 ' HA ' HD21 ' A' ' 81' ' ' LEU . 11.8 pt-20 -151.73 157.05 41.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.484 ' CA ' HG11 ' A' ' 42' ' ' VAL . . . 100.39 -150.0 18.77 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.137 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.733 ' O ' HG12 ' A' ' 38' ' ' VAL . . . 65.17 177.59 6.36 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.849 HG22 ' H ' ' A' ' 39' ' ' ASP . 3.6 p 50.38 -161.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 0.736 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.849 ' H ' HG22 ' A' ' 38' ' ' VAL . 0.8 OUTLIER -69.83 57.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.465 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 43.1 p -98.03 161.25 26.19 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.012 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.465 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.5 Cg_endo -74.93 -1.3 11.02 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.465 1.771 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.808 HG22 ' HG3' ' A' ' 44' ' ' LYS . 1.5 p -94.03 -43.39 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.71 -9.54 76.8 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.528 1.143 . . . . 0.0 110.97 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.808 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -143.95 -175.57 4.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 76.2 t -100.57 140.96 18.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.549 HG12 ' NZ ' ' A' ' 44' ' ' LYS . 10.4 m -146.39 133.82 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.077 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.521 ' HA ' HD23 ' A' ' 34' ' ' LEU . 77.8 t -58.72 124.97 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.504 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 34.3 t -79.38 -48.41 14.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -168.83 136.21 1.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.618 HG23 ' HB3' ' A' ' 56' ' ' ALA . 2.5 p -105.42 95.33 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.421 ' C ' ' O ' ' A' ' 50' ' ' VAL . 7.9 m-30 -35.78 126.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -76.23 108.27 9.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 136.74 -31.56 2.55 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.469 1.105 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -58.81 -156.92 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.488 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -91.39 -33.17 15.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.618 ' HB3' HG23 ' A' ' 50' ' ' VAL . . . -59.7 -53.93 52.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.352 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -48.34 80.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -46.82 -42.08 16.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -54.19 -53.43 53.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.617 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.03 76.33 0.47 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -132.82 -66.59 0.08 OUTLIER Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.656 HG11 ' CG ' ' A' ' 66' ' ' ASP . 38.4 t -129.96 156.78 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 0.782 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.2 m -102.83 179.39 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.085 . . . . 0.0 109.265 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.504 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -55.86 160.44 2.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 66' ' ' ASP . . . 95.17 -24.5 28.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.656 ' CG ' HG11 ' A' ' 62' ' ' VAL . 6.3 t0 -39.89 156.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.483 ' HB2' ' HB3' ' A' ' 104' ' ' ALA . 6.2 mt-10 -93.74 97.86 10.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.3 mm -78.49 160.07 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.54 ' O ' HG22 ' A' ' 76' ' ' VAL . 13.1 mtm -155.9 -52.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.614 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -130.54 141.32 50.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.812 HD13 ' HB2' ' A' ' 88' ' ' LEU . 51.6 mt -118.09 110.06 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.776 HD22 ' HB1' ' A' ' 91' ' ' ALA . 1.2 m-20 55.64 27.65 10.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 109.52 -53.32 0.59 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.99 122.72 7.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.779 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.706 HG23 HG23 ' A' ' 77' ' ' THR . 21.7 mt -70.67 132.39 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.54 HG22 ' O ' ' A' ' 69' ' ' MET . 18.5 m -122.04 22.7 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.706 HG23 HG23 ' A' ' 75' ' ' ILE . 13.0 p -51.4 -84.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.383 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -89.28 42.89 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.556 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -95.62 153.94 17.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.991 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.504 HG22 HG23 ' A' ' 38' ' ' VAL . 3.6 p -90.97 152.71 20.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.399 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.767 HD21 ' HA ' ' A' ' 35' ' ' GLU . 2.9 mt -39.86 -64.85 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.75 -50.98 9.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.556 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -48.77 -69.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -56.94 -64.31 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 84' ' ' ALA . 5.3 mt-10 -36.38 -54.96 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.07 -55.24 17.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -43.9 -65.49 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.812 ' HB2' HD13 ' A' ' 71' ' ' ILE . 15.3 tp -44.13 -54.84 5.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -49.45 -63.21 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -40.04 -59.59 1.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.776 ' HB1' HD22 ' A' ' 72' ' ' ASN . . . -43.41 -53.55 5.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.602 ' CZ2' ' HA ' ' A' ' 26' ' ' LYS . 22.4 t-105 -61.0 -51.73 68.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 108.005 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 94' ' ' GLN . 34.6 m-80 -49.37 -49.59 43.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 93' ' ' ASN . 11.1 mt-30 -38.39 -33.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 115.62 -91.9 0.57 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 50.87 175.8 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -97.29 -44.16 7.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.565 ' CE3' ' HD2' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -142.17 167.74 21.39 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.438 HG21 ' CE3' ' A' ' 92' ' ' TRP . 2.3 tt -129.31 136.63 59.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.449 ' OD1' HD11 ' A' ' 21' ' ' LEU . 1.1 m-20 -95.91 112.98 24.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.656 HD12 HD12 ' A' ' 24' ' ' ILE . 96.4 mt -102.35 117.72 35.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.614 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 98.6 t -85.53 98.55 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.37 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.57 HG11 ' CG ' ' A' ' 66' ' ' ASP . 1.3 t -126.71 154.97 37.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.483 ' HB3' ' HB2' ' A' ' 67' ' ' GLU . . . -105.14 163.96 12.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.493 HG23 ' HG3' ' A' ' 20' ' ' ARG . 76.1 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 41.7 p -57.97 -55.73 31.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.383 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.428 ' O ' HD11 ' A' ' 75' ' ' ILE . 4.7 ttp -39.58 -46.57 1.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -86.03 -179.51 6.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.13 167.63 14.65 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.979 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -34.64 3.68 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.536 1.809 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -88.6 20.26 3.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -118.44 -57.02 2.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.276 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.495 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 2.5 pt -67.75 -53.12 33.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 52.41 -134.09 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.2 22.53 25.85 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.128 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 23.9 mtpp -73.23 148.28 43.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 0.737 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.89 89.43 3.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.483 HG11 ' HE1' ' A' ' 69' ' ' MET . 16.2 m -98.7 156.98 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.501 ' HG3' HG23 ' A' ' 105' ' ' VAL . 39.5 mtm180 -124.83 130.11 51.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.605 HD12 ' N ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -88.35 111.08 21.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.647 HD12 HG23 ' A' ' 62' ' ' VAL . 82.2 mt -105.35 155.03 19.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.73 122.99 37.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.935 HD12 HD12 ' A' ' 101' ' ' LEU . 6.4 mt -99.8 155.48 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.5 tttt -91.96 143.9 26.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.449 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 8.6 mttt -89.3 80.94 6.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -126.49 126.12 43.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 41.49 75.51 0.13 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 46.08 -169.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.771 . . . . 0.0 109.973 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.763 HD21 HD21 ' A' ' 88' ' ' LEU . 2.9 tp -116.44 -47.84 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 54.43 72.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.488 HD13 ' CB ' ' A' ' 56' ' ' ALA . 6.0 tp -126.97 151.87 47.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.421 ' O ' HD23 ' A' ' 34' ' ' LEU . . . -114.6 143.48 44.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.601 HD23 ' HA ' ' A' ' 47' ' ' VAL . 51.9 mt -128.16 159.71 34.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.814 ' CA ' HD21 ' A' ' 81' ' ' LEU . 10.7 pt-20 -155.98 165.37 36.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 37' ' ' GLY . . . 104.23 -124.58 8.09 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.456 1.098 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.457 ' C ' ' CG2' ' A' ' 38' ' ' VAL . . . 47.05 -175.44 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.664 HG13 HG22 ' A' ' 80' ' ' THR . 0.3 OUTLIER 41.68 -164.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 0.751 . . . . 0.0 109.292 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -70.29 56.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.456 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 67.8 p -89.76 160.22 41.73 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 110.024 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.456 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.3 Cg_endo -74.98 -2.13 12.14 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.78 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.922 HG12 ' HG3' ' A' ' 44' ' ' LYS . 54.8 t -93.66 -54.36 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.39 28.94 34.6 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.922 ' HG3' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -177.8 167.68 2.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 0.77 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.414 HG12 ' HB ' ' A' ' 68' ' ' ILE . 95.8 t -84.09 135.58 24.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.477 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 19.6 m -146.38 133.71 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.601 ' HA ' HD23 ' A' ' 34' ' ' LEU . 73.5 t -60.77 112.3 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.4 t -66.34 -48.0 71.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.985 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.6 147.26 6.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.867 HG23 ' HB3' ' A' ' 56' ' ' ALA . 1.5 p -112.7 92.24 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -45.99 119.92 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 111.021 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -49.43 -22.7 1.24 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.68 51.28 2.32 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -147.06 -169.25 14.44 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.6 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -91.42 -38.94 12.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 0.804 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.867 ' HB3' HG23 ' A' ' 50' ' ' VAL . . . -47.32 -47.61 25.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -56.14 -54.81 40.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.2 mtt-85 -50.34 -38.81 43.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.509 ' CE1' ' HA3' ' A' ' 61' ' ' GLY . 15.2 t-80 -62.09 -64.34 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.615 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.08 -43.52 3.06 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.509 ' HA3' ' CE1' ' A' ' 59' ' ' HIS . . . -37.83 -48.2 1.87 Allowed Glycine 0 CA--C 1.531 1.043 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.736 HG22 ' OD2' ' A' ' 66' ' ' ASP . 3.3 t -112.57 141.59 27.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 0.78 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.4 m -137.47 -162.76 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -76.38 143.35 40.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.27 -29.41 11.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.924 ' HB3' HG11 ' A' ' 103' ' ' VAL . 0.7 OUTLIER -40.83 141.89 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 0.801 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.837 ' C ' HG13 ' A' ' 103' ' ' VAL . 4.1 mt-10 -87.01 86.69 7.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.663 HD13 HG22 ' A' ' 103' ' ' VAL . 22.7 mm -63.45 148.48 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.715 ' O ' HG22 ' A' ' 76' ' ' VAL . 22.0 mtm -144.39 -47.02 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.418 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -131.11 155.13 47.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.746 HD13 ' HB2' ' A' ' 88' ' ' LEU . 40.3 mt -131.82 107.47 13.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.693 HD22 ' HB1' ' A' ' 91' ' ' ALA . 2.0 t-20 59.25 24.19 12.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 112.18 -55.87 0.49 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.22 121.77 3.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.77 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.639 HG23 HG23 ' A' ' 77' ' ' THR . 17.2 mt -68.56 130.79 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.715 HG22 ' O ' ' A' ' 69' ' ' MET . 13.7 m -123.38 23.41 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.639 HG23 HG23 ' A' ' 75' ' ' ILE . 25.0 p -55.76 -55.05 36.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 110.39 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.34 35.59 2.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.62 ' CD2' HG12 ' A' ' 76' ' ' VAL . 0.4 OUTLIER -94.22 146.72 23.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.664 HG22 HG13 ' A' ' 38' ' ' VAL . 1.1 p -88.96 155.09 19.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.422 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.814 HD21 ' CA ' ' A' ' 35' ' ' GLU . 9.8 mt -41.09 -63.89 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.88 -50.13 19.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.79 -69.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -56.56 -62.81 1.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 81' ' ' LEU . 7.3 mt-10 -37.78 -45.32 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.4 -58.33 3.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -42.38 -63.25 0.79 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.085 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.763 HD21 HD21 ' A' ' 30' ' ' LEU . 24.2 tp -43.69 -54.06 5.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -47.25 -65.54 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 89' ' ' GLN . 30.1 mttt -39.47 -62.21 0.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.693 ' HB1' HD22 ' A' ' 72' ' ' ASN . . . -40.96 -62.52 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.6 ' CH2' ' HB3' ' A' ' 55' ' ' ALA . 8.3 t-105 -54.05 -51.38 64.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 108.032 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 94' ' ' GLN . 5.7 m-80 -47.83 -52.68 18.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 93' ' ' ASN . 13.3 mt-30 -34.64 -52.65 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.415 ' O ' ' CD ' ' A' ' 26' ' ' LYS . . . 137.1 -102.79 0.4 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 58.84 174.57 0.57 Allowed Glycine 0 CA--C 1.529 0.969 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -97.95 -43.38 7.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 0.745 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -140.25 158.71 43.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 108.012 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.52 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 2.0 tt -117.41 159.06 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.617 ' O ' HD23 ' A' ' 101' ' ' LEU . 2.8 m-20 -112.54 137.26 51.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.935 HD12 HD12 ' A' ' 24' ' ' ILE . 39.3 mt -139.24 135.39 33.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.418 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 45.6 t -109.58 117.46 54.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.924 HG11 ' HB3' ' A' ' 66' ' ' ASP . 6.9 t -134.46 149.7 30.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.75 154.4 23.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.501 HG23 ' HG3' ' A' ' 20' ' ' ARG . 4.1 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.7 p -145.51 -53.64 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 110.397 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.744 ' HB3' HD11 ' A' ' 75' ' ' ILE . 16.9 mtm -42.7 -50.02 5.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.624 ' CZ ' ' SD ' ' A' ' 69' ' ' MET . 23.5 m-85 -66.83 -160.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.76 169.06 11.05 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -10.73 21.26 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.797 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.4 16.84 21.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 14' ' ' ILE . 8.2 tp60 -120.57 -49.91 2.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.402 ' N ' ' HG3' ' A' ' 13' ' ' GLN . 1.1 pt -73.76 -45.7 49.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -42.37 121.9 2.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.79 -50.19 0.98 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -69.92 172.55 7.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 109.235 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.91 86.31 2.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.363 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 62.5 t -80.14 142.5 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -135.96 130.31 33.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.498 HD12 ' N ' ' A' ' 22' ' ' LEU . 3.5 tp -91.46 114.59 27.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.498 ' N ' HD12 ' A' ' 21' ' ' LEU . 36.9 mt -111.76 103.99 12.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.439 ' CZ ' ' OD1' ' A' ' 100' ' ' ASP . 0.6 OUTLIER -83.73 117.74 23.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.32 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.964 HD12 ' CD1' ' A' ' 101' ' ' LEU . 11.9 mt -95.52 155.06 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -92.18 148.31 22.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.6 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 4.0 mttp -98.28 84.05 3.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.91 120.51 29.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.24 -67.05 3.36 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.444 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 3.3 m -177.38 -175.41 0.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.611 HD13 ' CZ3' ' A' ' 92' ' ' TRP . 58.4 tp -90.29 -79.2 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.425 ' HB3' ' CD2' ' A' ' 51' ' ' TYR . 0.8 OUTLIER 68.72 64.87 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.728 ' CD1' HG22 ' A' ' 50' ' ' VAL . 18.8 tp -131.32 130.6 42.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.35 152.83 20.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.247 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.598 HD23 ' HA ' ' A' ' 47' ' ' VAL . 72.1 mt -131.72 160.99 33.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.902 ' HA ' HD21 ' A' ' 81' ' ' LEU . 12.0 pt-20 -153.18 139.24 18.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.461 ' HA2' ' CB ' ' A' ' 40' ' ' SER . . . 93.42 -143.3 16.42 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.504 1.127 . . . . 0.0 110.979 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . 86.04 -71.8 2.79 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.827 HG23 HG22 ' A' ' 80' ' ' THR . 2.8 p -59.96 -149.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 0.77 . . . . 0.0 109.347 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.734 ' N ' HG13 ' A' ' 38' ' ' VAL . 53.3 p-10 -79.86 51.29 1.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.536 ' CB ' ' CD ' ' A' ' 41' ' ' PRO . 0.7 OUTLIER -89.88 179.9 1.4 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.995 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.536 ' CD ' ' CB ' ' A' ' 40' ' ' SER . 18.4 Cg_endo -74.98 -4.6 15.64 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.529 1.805 . . . . 0.0 111.044 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.717 HG12 ' HG3' ' A' ' 44' ' ' LYS . 7.8 t -101.28 -58.79 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.66 12.1 64.96 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.717 ' HG3' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -145.59 174.22 11.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 0.798 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.9 t -99.26 114.61 37.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.44 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 21.9 m -127.37 135.19 64.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.598 ' HA ' HD23 ' A' ' 34' ' ' LEU . 23.5 t -57.79 115.69 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.508 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 6.2 t -67.73 -45.03 76.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.022 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.67 146.97 5.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.728 HG22 ' CD1' ' A' ' 32' ' ' LEU . 25.4 t -110.0 90.26 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.425 ' CD2' ' HB3' ' A' ' 31' ' ' ASP . 4.1 m-30 -40.11 124.04 1.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 16.1 pt-20 -78.87 53.32 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.363 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -157.5 -39.44 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.35 -161.35 0.48 Allowed Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.612 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -86.05 -34.39 20.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 0.768 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -44.88 -59.76 2.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -52.23 -53.37 44.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.263 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -39.3 -57.75 1.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.462 ' CG ' HG12 ' A' ' 24' ' ' ILE . 9.4 t-80 -41.81 -50.22 4.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.597 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.83 66.21 2.7 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -138.06 -80.46 0.08 OUTLIER Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.447 HG22 ' HB3' ' A' ' 66' ' ' ASP . 9.9 p -87.25 140.72 15.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.483 0.755 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.0 m -114.73 -173.5 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.508 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.4 OUTLIER -70.2 143.69 52.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.16 -3.57 62.04 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.447 ' HB3' HG22 ' A' ' 62' ' ' VAL . 41.2 p-10 -56.75 -165.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 0.766 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -134.45 77.41 1.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.404 HD11 ' OD2' ' A' ' 66' ' ' ASP . 1.6 mm -70.8 109.44 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.698 ' HG2' HG12 ' A' ' 102' ' ' VAL . 6.2 ptm -95.31 -34.75 12.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.965 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.725 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -137.59 175.73 9.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 1.036 HD12 HG11 ' A' ' 76' ' ' VAL . 83.4 mt -144.28 107.34 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.603 HD22 ' HB1' ' A' ' 91' ' ' ALA . 1.3 t-20 53.1 22.75 2.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.404 ' O ' ' SD ' ' A' ' 8' ' ' MET . . . 114.37 -59.45 0.4 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.434 ' O ' HG13 ' A' ' 76' ' ' VAL . 6.5 mttp -45.2 112.58 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 0.733 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.829 HG23 HG23 ' A' ' 77' ' ' THR . 32.9 mt -60.68 133.22 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.036 HG11 HD12 ' A' ' 71' ' ' ILE . 14.5 m -123.81 23.08 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.829 HG23 HG23 ' A' ' 75' ' ' ILE . 81.3 p -65.27 -21.31 66.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.417 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.5 p30 -132.89 28.92 4.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.524 ' CD2' HG12 ' A' ' 76' ' ' VAL . 0.7 OUTLIER -95.56 141.71 28.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.105 . . . . 0.0 110.948 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.827 HG22 HG23 ' A' ' 38' ' ' VAL . 5.3 p -85.11 156.94 20.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 110.389 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.902 HD21 ' HA ' ' A' ' 35' ' ' GLU . 4.3 mt -39.64 -63.63 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.28 -59.15 3.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.095 . . . . 0.0 109.323 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -43.06 -68.22 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.333 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -54.59 -65.12 0.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 84' ' ' ALA . 6.9 mt-10 -37.37 -46.88 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.02 -57.53 4.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 88' ' ' LEU . . . -42.58 -65.81 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.467 ' HG ' ' CD2' ' A' ' 30' ' ' LEU . 10.9 tp -40.38 -58.43 1.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' TRP . 11.7 mm100 -49.32 -58.39 5.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -40.23 -57.38 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.603 ' HB1' HD22 ' A' ' 72' ' ' ASN . . . -47.84 -43.19 27.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.612 ' CH2' ' HB3' ' A' ' 55' ' ' ALA . 10.3 t-105 -69.07 -46.18 68.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 108.007 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 94' ' ' GLN . 5.2 m-80 -56.99 -44.84 83.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 93' ' ' ASN . 20.5 mt-30 -37.85 -59.8 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.401 ' O ' ' HD3' ' A' ' 26' ' ' LYS . . . 143.33 -104.56 0.35 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 54.83 171.94 0.07 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.543 ' HB3' ' CD2' ' A' ' 98' ' ' TRP . 0.8 OUTLIER -90.19 -43.94 10.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.755 . . . . 0.0 109.309 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.543 ' CD2' ' HB3' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -136.52 175.32 9.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 107.975 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.45 ' HB ' ' NZ ' ' A' ' 26' ' ' LYS . 5.3 tt -130.58 154.94 41.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.439 ' OD1' ' CZ ' ' A' ' 23' ' ' ARG . 13.1 m-20 -110.63 133.42 53.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.964 ' CD1' HD12 ' A' ' 24' ' ' ILE . 12.1 mt -126.3 133.58 51.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.725 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 78.8 t -106.91 120.64 58.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -151.07 148.07 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.57 174.5 5.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.0 p -92.49 11.14 27.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.39 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.21 -30.56 7.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -98.89 131.87 44.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.1 160.65 0.65 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.033 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -19.49 17.9 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.516 1.798 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -98.94 14.73 28.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 -112.42 -55.26 2.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.6 pt -65.06 -56.33 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 40.55 77.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.26 -42.19 3.13 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -40.37 107.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -83.17 101.9 11.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.516 ' CG1' ' CG1' ' A' ' 102' ' ' VAL . 99.6 t -78.56 134.29 28.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.49 ' HG3' HG23 ' A' ' 105' ' ' VAL . 1.3 mtt180 -126.19 123.66 38.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.2 tp -92.19 103.7 16.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.662 ' CD1' HG23 ' A' ' 62' ' ' VAL . 58.8 mt -94.95 137.26 34.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.568 ' CZ ' ' CE3' ' A' ' 98' ' ' TRP . 0.0 OUTLIER -106.36 116.94 32.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.893 HD12 ' CD1' ' A' ' 101' ' ' LEU . 50.7 mt -100.61 152.66 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 ttmm -81.46 139.03 35.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.58 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 9.9 mttt -89.91 82.2 6.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.924 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 2.0 tp10 -129.91 135.58 48.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 43.47 63.46 2.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.503 ' O ' ' CZ2' ' A' ' 92' ' ' TRP . 0.2 OUTLIER 53.26 -161.01 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.759 . . . . 0.0 109.993 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.767 HD13 ' CZ3' ' A' ' 92' ' ' TRP . 45.5 tp -100.46 -69.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 70.0 74.44 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.909 ' CD1' HG22 ' A' ' 50' ' ' VAL . 4.2 tp -147.06 136.29 22.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.411 ' O ' HD23 ' A' ' 34' ' ' LEU . . . -94.86 146.06 24.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' ' 33' ' ' ALA . 28.7 mt -128.02 155.91 43.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.797 ' HA ' HD21 ' A' ' 81' ' ' LEU . 18.9 pt-20 -155.89 149.09 24.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.525 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . 106.04 -147.32 16.22 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . 67.39 -169.4 36.79 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.803 HG13 ' N ' ' A' ' 39' ' ' ASP . 1.5 p 36.53 -150.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 0.0 109.263 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.803 ' N ' HG13 ' A' ' 38' ' ' VAL . 2.2 m-20 -77.57 54.79 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 82.4 p -91.44 160.0 37.81 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.986 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.2 Cg_endo -75.05 -1.82 11.74 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.78 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.901 HG22 ' HG3' ' A' ' 44' ' ' LYS . 2.4 p -94.34 -41.35 12.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.7 -0.01 89.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.901 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -150.12 170.45 18.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 38.3 t -88.62 138.22 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.509 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 12.1 m -146.57 134.45 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.716 ' CG1' HD11 ' A' ' 32' ' ' LEU . 63.6 t -63.46 120.02 9.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.441 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 21.7 t -69.25 -49.76 53.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.06 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.56 150.39 7.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.251 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.909 HG22 ' CD1' ' A' ' 32' ' ' LEU . 78.3 t -108.8 99.73 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -49.51 108.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -47.36 -25.15 0.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.49 65.1 1.83 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -165.97 -175.95 36.86 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.924 ' HB2' ' O ' ' A' ' 27' ' ' GLU . . . -82.78 -29.39 29.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 0.756 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.27 -51.62 63.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 58' ' ' ARG . 7.9 tm-20 -56.82 -53.35 58.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 57' ' ' GLU . 6.8 mtp85 -37.21 -52.27 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.453 ' CG ' HG12 ' A' ' 24' ' ' ILE . 22.8 t-80 -56.07 -64.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.571 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.09 -34.36 4.31 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.1 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -40.2 -62.8 1.45 Allowed Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.666 HG22 ' OD2' ' A' ' 66' ' ' ASP . 3.0 t -89.9 137.52 21.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.1 m -127.18 -156.74 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.441 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.1 OUTLIER -88.06 135.26 33.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.57 -23.4 32.93 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.914 ' HB3' HG11 ' A' ' 103' ' ' VAL . 0.5 OUTLIER -41.75 136.15 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 0.733 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.753 ' C ' HG13 ' A' ' 103' ' ' VAL . 12.7 tt0 -78.31 96.78 5.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 110.238 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.696 HD13 HG22 ' A' ' 103' ' ' VAL . 12.0 mm -78.58 140.04 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.66 ' O ' HG22 ' A' ' 76' ' ' VAL . 38.5 mtm -143.04 -48.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.653 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -126.49 142.29 51.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.834 HD13 ' HB2' ' A' ' 88' ' ' LEU . 93.1 mt -127.48 115.38 39.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.507 ' ND2' ' HB1' ' A' ' 91' ' ' ALA . 3.1 m120 59.93 16.22 5.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.252 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 109.95 -33.03 6.26 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.44 1.088 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -59.39 138.78 57.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.769 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.759 HG23 HG23 ' A' ' 77' ' ' THR . 19.7 mm -79.88 118.94 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 69' ' ' MET . 14.5 m -123.76 23.05 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.759 HG23 HG23 ' A' ' 75' ' ' ILE . 70.4 p -56.3 -58.84 6.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -105.16 42.08 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.534 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -94.77 144.87 25.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.608 HG22 HG23 ' A' ' 38' ' ' VAL . 3.1 p -83.46 156.19 23.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.405 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.797 HD21 ' HA ' ' A' ' 35' ' ' GLU . 3.0 mt -39.54 -63.17 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.29 -65.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.534 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 11.3 mt-10 -39.35 -69.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.23 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -51.66 -65.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 84' ' ' ALA . 5.9 mt-10 -36.89 -58.31 0.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 87' ' ' ALA . . . -61.18 -64.83 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 86' ' ' ALA . . . -39.57 -65.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.834 ' HB2' HD13 ' A' ' 71' ' ' ILE . 14.8 tp -40.52 -53.37 2.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 92' ' ' TRP . 13.0 mm100 -58.66 -58.89 6.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -39.84 -54.53 2.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.507 ' HB1' ' ND2' ' A' ' 72' ' ' ASN . . . -49.68 -45.47 48.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.873 ' CZ3' HG21 ' A' ' 99' ' ' ILE . 8.2 t-105 -68.46 -48.69 63.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 108.004 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 94' ' ' GLN . 3.2 m-80 -45.75 -41.43 10.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 93' ' ' ASN . 30.8 mt-30 -35.91 -47.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.46 104.07 1.23 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.465 ' CA ' ' HD3' ' A' ' 26' ' ' LYS . . . -147.58 -162.87 10.29 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -95.98 -43.83 7.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.568 ' CE3' ' CZ ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -142.14 145.62 34.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 107.997 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.873 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 8.3 tt -110.7 152.72 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -100.28 138.66 37.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.893 ' CD1' HD12 ' A' ' 24' ' ' ILE . 11.0 mt -142.82 118.23 10.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.653 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 94.7 t -95.76 129.76 45.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.914 HG11 ' HB3' ' A' ' 66' ' ' ASP . 43.0 t -150.25 147.7 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.642 ' HB3' ' HB3' ' A' ' 67' ' ' GLU . . . -85.5 151.32 24.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.49 HG23 ' HG3' ' A' ' 20' ' ' ARG . 31.1 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.6 p -39.38 -55.74 1.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -40.88 -42.06 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -93.14 176.41 6.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.72 157.51 46.41 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.941 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -12.93 21.47 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.533 1.807 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -105.98 14.57 27.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -116.55 -53.98 2.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.281 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.2 pt -66.32 -35.34 74.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.14 124.37 7.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.88 -37.78 3.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -69.67 169.55 12.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.787 . . . . 0.0 109.299 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.416 ' O ' ' HA ' ' A' ' 104' ' ' ALA . 25.1 m-20 -126.02 90.97 3.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -112.42 122.39 66.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.408 ' HG3' HG23 ' A' ' 105' ' ' VAL . 0.5 OUTLIER -115.34 159.44 21.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.862 HD11 ' CG ' ' A' ' 100' ' ' ASP . 16.7 tp -120.23 105.78 11.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 mt -102.07 132.71 47.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.461 ' HD3' ' CB ' ' A' ' 98' ' ' TRP . 0.3 OUTLIER -98.01 101.91 13.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.294 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.7 ' CD1' HD12 ' A' ' 101' ' ' LEU . 10.6 mt -85.49 155.12 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -96.01 141.44 29.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.422 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 22.7 mttt -88.64 74.69 8.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -125.36 149.64 47.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 110.302 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.05 -80.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 27' ' ' GLU . 3.4 m 179.67 161.44 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 0.733 . . . . 0.0 110.024 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.691 HD21 HD11 ' A' ' 88' ' ' LEU . 39.2 tp -73.11 -77.84 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 68.36 59.34 0.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.504 HD23 HD21 ' A' ' 88' ' ' LEU . 9.1 tp -124.43 128.68 49.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.427 ' O ' HD23 ' A' ' 34' ' ' LEU . . . -93.1 151.82 19.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 47' ' ' VAL . 23.5 mt -131.3 156.66 45.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.858 ' HA ' HD21 ' A' ' 81' ' ' LEU . 12.5 pt-20 -153.57 161.78 41.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 110.326 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.695 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . 93.05 -130.8 10.49 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.655 ' O ' HG12 ' A' ' 38' ' ' VAL . . . 52.49 174.55 0.04 OUTLIER Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.714 HG13 ' N ' ' A' ' 39' ' ' ASP . 2.0 p 48.31 -154.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 0.729 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.714 ' N ' HG13 ' A' ' 38' ' ' VAL . 4.5 t0 -70.13 56.55 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.54 ' HB2' HG12 ' A' ' 42' ' ' VAL . 13.0 p -96.41 159.93 30.78 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.2 Cg_endo -75.03 -3.87 14.56 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.868 HG22 ' HG3' ' A' ' 44' ' ' LYS . 1.6 p -91.1 -38.71 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.02 -0.81 86.71 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.488 1.118 . . . . 0.0 111.039 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.868 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -149.88 -175.22 4.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 109.294 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.5 t -98.63 138.02 24.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.485 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 4.9 m -146.41 132.46 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.466 ' CG1' HD11 ' A' ' 32' ' ' LEU . 69.1 t -59.51 119.92 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.0 t -70.66 -49.83 43.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.028 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -167.25 148.12 5.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.329 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.62 HG23 ' HB3' ' A' ' 56' ' ' ALA . 3.9 p -122.04 89.73 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -45.3 114.98 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 111.043 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -46.91 -25.16 0.72 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.88 44.01 3.28 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -134.82 -171.02 12.35 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.559 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -90.83 -26.15 19.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 0.797 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.62 ' HB3' HG23 ' A' ' 50' ' ' VAL . . . -59.02 -51.78 68.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.432 1.083 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -64.54 -44.77 89.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -47.34 -31.06 3.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 0.0 110.29 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.516 ' CD2' ' HA ' ' A' ' 24' ' ' ILE . 56.4 t-80 -79.06 -60.38 2.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.596 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.74 136.2 7.05 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 125.13 -46.0 1.12 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.405 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 1.5 p -99.8 119.83 48.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.47 HG23 ' N ' ' A' ' 64' ' ' LYS . 4.5 m -127.86 -157.62 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.47 ' N ' HG23 ' A' ' 63' ' ' VAL . 3.5 ttpt -82.21 149.55 27.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.097 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.1 -15.11 60.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.835 ' HB3' HG21 ' A' ' 103' ' ' VAL . 0.6 OUTLIER -47.31 169.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 0.786 . . . . 0.0 109.326 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.811 ' C ' HG23 ' A' ' 103' ' ' VAL . 46.6 mt-10 -114.72 75.6 0.94 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.7 mm -62.23 134.98 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.58 ' O ' HG22 ' A' ' 76' ' ' VAL . 26.7 mtm -130.83 -43.67 1.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.791 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -136.66 130.28 31.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.832 HD12 HG11 ' A' ' 76' ' ' VAL . 7.8 mt -112.27 107.29 22.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 71' ' ' ILE . 4.2 t-20 81.04 -55.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 170.11 40.09 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.716 ' O ' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -139.83 112.31 7.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 0.767 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.529 HG23 HG23 ' A' ' 77' ' ' THR . 4.7 mt -52.6 125.95 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.832 HG11 HD12 ' A' ' 71' ' ' ILE . 24.5 m -124.22 17.56 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.529 HG23 HG23 ' A' ' 75' ' ' ILE . 32.0 p -59.65 -40.21 86.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.6 37.62 3.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.457 ' CD2' HG12 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -101.6 158.03 16.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.599 HG22 HG23 ' A' ' 38' ' ' VAL . 6.0 p -96.74 156.59 16.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.401 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.858 HD21 ' HA ' ' A' ' 35' ' ' GLU . 5.0 mt -39.44 -63.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.52 -66.31 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.429 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 54.7 mt-10 -38.82 -69.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -51.42 -65.47 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 84' ' ' ALA . 7.8 mt-10 -36.81 -52.2 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.06 -61.05 2.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.42 -48.24 3.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.691 HD11 HD21 ' A' ' 30' ' ' LEU . 4.5 tp -57.32 -54.15 50.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 90' ' ' LYS . 15.4 mt-30 -57.6 -60.9 2.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.14 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 89' ' ' GLN . 4.6 mmtm -37.54 -39.64 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 88' ' ' LEU . . . -61.14 -67.28 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.621 ' CZ3' HD13 ' A' ' 30' ' ' LEU . 8.7 t-105 -54.54 -42.3 70.77 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.485 ' O ' ' C ' ' A' ' 94' ' ' GLN . 19.4 m-20 -49.51 -47.06 49.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.087 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.485 ' C ' ' O ' ' A' ' 93' ' ' ASN . 26.1 mt-30 -32.38 -58.72 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 98.63 60.39 0.89 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -99.25 -160.97 29.31 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.535 ' HB3' ' CD2' ' A' ' 98' ' ' TRP . 28.9 m-20 -98.41 -45.14 6.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.535 ' CD2' ' HB3' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -138.01 166.52 23.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 0.0 108.02 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.552 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 8.5 tt -136.53 165.47 28.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.862 ' CG ' HD11 ' A' ' 21' ' ' LEU . 2.6 m-20 -126.87 138.82 53.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.7 HD12 ' CD1' ' A' ' 24' ' ' ILE . 80.5 mt -131.2 112.94 13.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.791 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 53.8 t -90.66 103.32 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.835 HG21 ' HB3' ' A' ' 66' ' ' ASP . 2.0 p -140.4 141.17 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 18' ' ' ASP . . . -77.97 150.82 33.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.408 HG23 ' HG3' ' A' ' 20' ' ' ARG . 58.9 t . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 8' ' ' MET . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 68.45 -60.64 0.42 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 110.39 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -55.36 -41.28 72.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -87.09 153.97 21.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.37 159.11 82.53 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -14.51 21.22 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.475 1.776 . . . . 0.0 111.019 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.45 11.12 32.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -111.68 -41.95 3.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 110.32 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.2 pt -81.27 -32.82 12.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.17 118.93 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.33 -45.82 2.41 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.459 1.099 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.6 mttm -62.57 148.67 45.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 0.772 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.629 ' HB3' HG12 ' A' ' 105' ' ' VAL . 5.2 m-20 -104.13 85.3 2.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.418 HG12 ' H ' ' A' ' 19' ' ' VAL . 0.7 OUTLIER -88.02 117.79 32.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.1 mtp85 -123.62 135.19 53.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.274 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.647 HD11 ' CG ' ' A' ' 100' ' ' ASP . 27.0 tp -95.98 133.42 40.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.566 HD12 HG23 ' A' ' 62' ' ' VAL . 31.9 mt -130.9 141.72 50.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.83 120.68 41.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.695 ' CD1' HD12 ' A' ' 101' ' ' LEU . 19.6 mt -103.49 152.46 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.41 143.91 25.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.577 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 13.1 mttt -89.14 79.71 7.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -130.85 125.1 32.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.12 -78.13 2.03 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.435 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 3.5 m 179.95 173.09 0.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 110.051 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.746 HD13 ' CE3' ' A' ' 92' ' ' TRP . 27.9 tp -87.88 -77.31 0.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 63.13 55.27 1.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.504 HD23 HD21 ' A' ' 88' ' ' LEU . 19.9 tp -117.12 130.91 56.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.148 . . . . 0.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.43 145.7 24.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 76.0 mt -129.62 159.72 35.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.967 ' HA ' HD21 ' A' ' 81' ' ' LEU . 11.3 pt-20 -155.53 155.57 33.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.548 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . 104.93 -136.42 13.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.419 1.074 . . . . 0.0 110.985 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.486 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . 59.48 -174.77 3.72 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.809 HG13 ' N ' ' A' ' 39' ' ' ASP . 0.5 OUTLIER 41.17 -157.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.748 . . . . 0.0 109.319 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.809 ' N ' HG13 ' A' ' 38' ' ' VAL . 11.7 t0 -70.83 57.99 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 54.7 p -95.44 160.43 30.57 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.96 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.2 Cg_endo -74.98 -4.73 15.84 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.476 1.777 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.923 HG22 ' HG3' ' A' ' 44' ' ' LYS . 2.4 p -89.46 -40.09 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.1 5.4 89.04 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.132 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.923 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -155.93 171.96 19.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.9 t -93.96 142.88 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.426 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 13.2 m -146.12 -167.09 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.4 t -106.22 135.65 43.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.408 ' HA ' ' OE1' ' A' ' 35' ' ' GLU . 29.6 t -94.14 -46.02 7.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.016 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.93 148.82 6.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.74 HG23 ' HB3' ' A' ' 56' ' ' ALA . 1.2 p -120.88 91.37 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.249 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -49.46 116.19 1.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -41.8 -30.75 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.337 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.91 54.75 4.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.499 1.124 . . . . 0.0 111.047 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -147.32 -165.59 11.91 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.608 ' CB ' ' CH2' ' A' ' 92' ' ' TRP . . . -90.72 -48.56 6.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.74 ' HB3' HG23 ' A' ' 50' ' ' VAL . . . -42.05 -45.69 3.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.401 ' C ' ' CD ' ' A' ' 57' ' ' GLU . 10.1 tm-20 -53.08 -56.59 15.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -43.09 -42.23 3.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.45 ' CE1' ' HB3' ' A' ' 22' ' ' LEU . 38.2 t-80 -61.88 -65.68 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.608 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.93 -52.79 1.43 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -44.11 -47.67 8.12 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.566 HG23 HD12 ' A' ' 22' ' ' LEU . 2.7 t -89.03 128.1 41.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.5 m -135.55 -168.31 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.09 153.5 38.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.06 40.17 96.83 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.663 ' HB3' HG21 ' A' ' 103' ' ' VAL . 0.5 OUTLIER -88.45 172.63 9.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 109.26 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.595 ' C ' HG23 ' A' ' 103' ' ' VAL . 0.3 OUTLIER -100.94 58.64 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.685 HD13 ' HB ' ' A' ' 103' ' ' VAL . 2.1 mm -62.12 142.86 15.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.812 ' O ' HG22 ' A' ' 76' ' ' VAL . 37.7 mtm -142.31 -45.69 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.601 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -131.23 145.38 51.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.854 HD13 ' HB2' ' A' ' 88' ' ' LEU . 40.6 mt -118.76 107.2 21.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 67.12 18.89 10.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 112.7 -42.98 1.81 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.564 1.165 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER -53.47 130.42 35.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 0.751 . . . . 0.0 109.297 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.523 HG23 HG23 ' A' ' 77' ' ' THR . 6.9 mt -75.11 126.2 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.812 HG22 ' O ' ' A' ' 69' ' ' MET . 12.1 m -123.58 15.71 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.523 HG23 HG23 ' A' ' 75' ' ' ILE . 33.4 p -60.1 -22.28 62.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -131.81 31.18 4.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.441 ' HB2' ' CA ' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -95.09 148.21 22.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.548 HG22 HG23 ' A' ' 38' ' ' VAL . 6.7 p -88.79 156.86 18.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.398 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.967 HD21 ' HA ' ' A' ' 35' ' ' GLU . 4.8 mt -40.13 -64.16 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.64 -59.49 3.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -43.76 -69.39 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 110.334 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -52.67 -65.39 0.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 84' ' ' ALA . 5.1 mt-10 -36.85 -50.1 0.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.321 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.2 -52.1 38.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.24 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -45.35 -68.93 0.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.854 ' HB2' HD13 ' A' ' 71' ' ' ILE . 35.1 tp -42.49 -62.76 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 90' ' ' LYS . 15.9 mm100 -47.52 -66.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 89' ' ' GLN . 2.1 mmtm -36.91 -42.07 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' A' ' 88' ' ' LEU . . . -59.77 -57.35 13.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.746 ' CE3' HD13 ' A' ' 30' ' ' LEU . 13.6 t-105 -60.56 -44.44 96.16 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 94' ' ' GLN . 2.8 m-80 -47.59 -44.08 26.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 93' ' ' ASN . 15.2 mt-30 -36.68 -51.75 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.59 22.98 8.6 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -59.62 -175.24 0.89 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -89.5 -43.83 10.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 0.78 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -142.27 168.43 19.75 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.526 HG21 ' CE3' ' A' ' 92' ' ' TRP . 4.5 tt -137.66 143.14 34.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.647 ' CG ' HD11 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -106.34 129.66 54.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.075 . . . . 0.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.695 HD12 ' CD1' ' A' ' 24' ' ' ILE . 56.2 mt -120.16 113.85 21.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.601 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 78.0 t -82.19 105.26 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.685 ' HB ' HD13 ' A' ' 68' ' ' ILE . 2.1 p -145.3 140.38 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.62 ' HB1' ' O ' ' A' ' 18' ' ' ASP . . . -85.04 148.63 26.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.629 HG12 ' HB3' ' A' ' 18' ' ' ASP . 10.3 p . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.7 p -128.43 -48.25 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 0.0 110.434 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -49.67 -51.43 38.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.416 ' CZ ' ' HB2' ' A' ' 70' ' ' ALA . 58.6 m-85 -64.63 166.95 7.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.38 161.14 65.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -19.3 17.89 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.67 17.93 20.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 110.335 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -117.73 -54.09 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.4 pt -66.17 -40.63 87.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.17 125.08 8.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.06 -47.91 1.47 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.458 1.099 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -66.51 -179.4 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.78 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -134.15 85.88 2.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 70.5 t -88.88 140.3 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.58 ' CZ ' HG21 ' A' ' 105' ' ' VAL . 0.7 OUTLIER -137.83 132.85 33.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.789 HD11 ' CG ' ' A' ' 100' ' ' ASP . 23.1 tp -98.1 122.17 40.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.5 mt -111.3 149.53 30.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.573 ' HD2' ' CE3' ' A' ' 98' ' ' TRP . 22.3 ttp180 -116.79 108.79 16.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.517 HG12 ' CG ' ' A' ' 59' ' ' HIS . 81.6 mt -100.81 138.39 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -74.06 142.95 45.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.566 1.166 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.582 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -91.06 79.11 5.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 3.9 tp10 -135.67 137.51 41.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 52.3 66.61 2.52 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 p 44.33 -167.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 0.755 . . . . 0.0 109.978 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.771 HD21 HD21 ' A' ' 88' ' ' LEU . 42.7 tp -104.9 -63.01 1.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 60.13 81.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.613 ' CD1' HG22 ' A' ' 50' ' ' VAL . 15.4 tp -142.1 134.34 27.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.78 132.69 39.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.544 HD23 ' HA ' ' A' ' 47' ' ' VAL . 18.8 mt -121.22 156.49 32.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.808 ' HA ' HD21 ' A' ' 81' ' ' LEU . 19.4 pt-20 -156.49 144.03 19.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.536 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . 114.12 -156.84 15.36 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.471 1.107 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.51 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . 70.71 -168.36 49.52 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.795 HG13 ' N ' ' A' ' 39' ' ' ASP . 2.7 p 33.27 -146.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 0.725 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.795 ' N ' HG13 ' A' ' 38' ' ' VAL . 1.9 t0 -80.32 50.34 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 96.6 p -88.13 159.91 47.1 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.975 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.434 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.3 Cg_endo -75.02 5.35 4.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.566 HG22 ' HG3' ' A' ' 44' ' ' LYS . 1.7 p -108.52 -49.23 7.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.07 1.78 66.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.566 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -145.95 178.05 8.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.2 t -100.0 121.71 51.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.2 m -132.72 135.31 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.544 ' HA ' HD23 ' A' ' 34' ' ' LEU . 43.7 t -57.51 129.24 19.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.493 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 4.4 t -83.38 -44.21 15.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.038 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.59 147.52 6.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.31 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.613 HG22 ' CD1' ' A' ' 32' ' ' LEU . 38.6 t -105.86 90.19 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -47.21 108.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.457 ' HA ' ' CB ' ' A' ' 57' ' ' GLU . 4.8 pt-20 -50.78 -24.15 3.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.49 45.61 2.57 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -145.25 -165.31 11.16 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.526 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -91.31 -32.94 15.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 0.777 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.533 ' CB ' HD13 ' A' ' 32' ' ' LEU . . . -50.62 -58.19 6.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.457 ' CB ' ' HA ' ' A' ' 52' ' ' GLU . 5.9 tp10 -58.63 -45.44 89.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.349 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.19 -54.96 7.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.343 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.517 ' CG ' HG12 ' A' ' 24' ' ' ILE . 16.6 t-80 -48.04 -65.7 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.575 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.77 129.98 1.43 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.459 1.099 . . . . 0.0 111.034 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 163.7 -64.91 0.24 Allowed Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.3 p -122.38 143.73 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.567 0.804 . . . . 0.0 109.267 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.2 m -100.11 -169.19 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.493 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.2 OUTLIER -61.65 159.79 12.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.81 -18.17 57.98 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.851 ' HB2' HG21 ' A' ' 103' ' ' VAL . 10.3 p-10 -42.03 161.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.822 ' C ' HG23 ' A' ' 103' ' ' VAL . 1.8 mt-10 -104.06 79.47 1.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.477 HD11 ' OD2' ' A' ' 66' ' ' ASP . 2.8 mm -63.26 143.06 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.704 ' O ' HG22 ' A' ' 76' ' ' VAL . 8.6 mtm -143.25 -50.9 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.548 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -128.33 134.13 48.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.588 1.18 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.824 HG22 ' OD1' ' A' ' 72' ' ' ASN . 75.0 mt -106.16 107.66 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.824 ' OD1' HG22 ' A' ' 71' ' ' ILE . 1.8 m120 75.59 -52.83 0.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -168.62 -39.98 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.14 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.13 152.9 15.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.544 HG23 HG23 ' A' ' 77' ' ' THR . 4.4 mt -91.32 125.56 44.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.704 HG22 ' O ' ' A' ' 69' ' ' MET . 12.7 m -123.73 16.93 4.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.544 HG23 HG23 ' A' ' 75' ' ' ILE . 42.5 p -56.35 -37.69 70.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 110.393 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -119.1 36.67 4.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.528 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -96.05 155.17 16.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.981 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 81' ' ' LEU . 16.7 p -92.01 155.6 17.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.416 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.808 HD21 ' HA ' ' A' ' 35' ' ' GLU . 3.4 mt -39.64 -64.09 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.65 -62.95 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.346 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.528 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 13.5 mt-10 -40.21 -68.7 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -53.61 -65.08 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 84' ' ' ALA . 4.7 mt-10 -36.92 -60.01 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 87' ' ' ALA . . . -60.65 -60.24 4.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 86' ' ' ALA . . . -39.46 -59.03 1.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.771 HD21 HD21 ' A' ' 30' ' ' LEU . 13.4 tp -47.98 -55.83 9.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 92' ' ' TRP . 3.3 mt-30 -48.29 -61.54 1.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 93' ' ' ASN . 31.1 mttt -39.87 -63.66 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.705 ' HB1' HD21 ' A' ' 72' ' ' ASN . . . -39.82 -41.39 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.582 ' CZ2' ' HA ' ' A' ' 26' ' ' LYS . 20.2 t-105 -70.65 -50.13 39.97 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 90' ' ' LYS . 19.0 m-80 -54.96 -44.14 74.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.243 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 93' ' ' ASN . 11.4 mt-30 -37.35 -36.76 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 96' ' ' GLY . . . 119.16 -95.74 0.62 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 95' ' ' GLY . . . 50.15 175.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -98.28 -44.67 6.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.573 ' CE3' ' HD2' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -142.22 141.06 32.5 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.549 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 13.7 tt -96.25 161.92 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.152 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.789 ' CG ' HD11 ' A' ' 21' ' ' LEU . 3.1 m-20 -117.46 140.54 49.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.491 HD12 HD12 ' A' ' 24' ' ' ILE . 64.9 mt -128.8 121.69 28.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.548 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 41.7 t -102.19 98.39 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.851 HG21 ' HB2' ' A' ' 66' ' ' ASP . 1.4 p -136.38 147.35 27.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.42 ' O ' HG22 ' A' ' 103' ' ' VAL . . . -72.12 164.48 26.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.58 HG21 ' CZ ' ' A' ' 20' ' ' ARG . 88.7 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.15 -63.46 1.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.82 162.59 13.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.43 -136.19 2.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.16 129.23 34.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 0.771 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -172.03 73.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.1 t -172.98 -44.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.379 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.78 -37.71 6.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -77.08 179.91 5.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.66 163.59 25.55 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -21.19 16.16 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.52 1.8 . . . . 0.0 111.04 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.53 11.85 38.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.348 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -111.34 -44.54 3.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.3 pt -78.74 -55.36 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.355 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 57.1 68.93 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 42.58 34.82 1.84 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.53 1.144 . . . . 0.0 110.954 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.15 172.46 2.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 0.784 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -115.25 86.07 2.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.418 ' HA ' ' HA ' ' A' ' 104' ' ' ALA . 0.1 OUTLIER -111.16 153.34 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.418 1.073 . . . . 0.0 109.285 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.424 ' HG3' HG23 ' A' ' 105' ' ' VAL . 0.5 OUTLIER -131.48 171.4 13.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.259 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.73 HD11 ' HB3' ' A' ' 100' ' ' ASP . 14.8 tp -123.7 96.88 5.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.433 HD11 ' CG1' ' A' ' 62' ' ' VAL . 25.0 mt -89.13 140.67 29.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.86 117.97 31.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.553 HD12 HD12 ' A' ' 101' ' ' LEU . 96.5 mt -105.24 141.95 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.406 ' O ' ' CH2' ' A' ' 92' ' ' TRP . 5.9 ttpp -76.97 138.77 39.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.574 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 41.8 mttt -84.21 60.09 5.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -134.8 127.45 30.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.341 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.1 34.17 15.56 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.529 ' O ' ' CZ2' ' A' ' 92' ' ' TRP . 4.9 p 63.01 -177.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 109.996 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.522 ' HB2' ' CD2' ' A' ' 92' ' ' TRP . 26.0 tp -94.86 -67.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 58.33 81.56 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.446 HD13 ' CB ' ' A' ' 56' ' ' ALA . 15.9 tp -145.25 146.19 31.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -115.83 142.0 47.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.511 HD23 ' HA ' ' A' ' 47' ' ' VAL . 30.1 mt -126.6 156.99 40.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.814 ' HA ' HD21 ' A' ' 81' ' ' LEU . 10.5 pt-20 -156.12 140.29 16.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.12 -143.69 18.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 38' ' ' VAL . . . 60.38 -161.59 20.81 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.792 HG13 ' N ' ' A' ' 39' ' ' ASP . 1.6 p 35.14 -150.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.792 ' N ' HG13 ' A' ' 38' ' ' VAL . 4.6 m-20 -88.45 51.22 2.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.6 170.67 8.18 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -6.74 18.44 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.497 1.788 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.819 HG12 ' HG2' ' A' ' 44' ' ' LYS . 72.3 t -87.68 -58.31 3.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.35 19.45 58.68 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.819 ' HG2' HG12 ' A' ' 42' ' ' VAL . 23.0 pttt -163.7 177.65 8.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.776 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 32.6 t -102.14 118.18 48.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 35' ' ' GLU . 29.6 m -131.15 135.03 60.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.511 ' HA ' HD23 ' A' ' 34' ' ' LEU . 42.6 t -58.12 116.48 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.423 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 13.1 t -66.87 -47.71 71.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.981 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.55 149.61 6.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 86.1 t -105.71 93.14 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.3 m-30 -44.88 117.73 1.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -60.85 -21.22 63.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -104.09 54.12 0.67 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.445 1.091 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -153.38 -179.26 28.7 Favored Glycine 0 CA--C 1.529 0.947 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.576 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -78.68 -18.53 54.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 0.76 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.446 ' CB ' HD13 ' A' ' 32' ' ' LEU . . . -64.29 -55.22 22.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 58' ' ' ARG . 12.8 tm-20 -58.09 -50.69 72.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 57' ' ' GLU . 3.1 mtt-85 -37.72 -53.14 1.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.408 ' CB ' HG12 ' A' ' 24' ' ' ILE . 51.7 t-80 -57.48 -65.81 0.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.588 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.34 -147.81 19.74 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.12 -80.39 1.11 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.433 ' CG1' HD11 ' A' ' 22' ' ' LEU . 11.9 m -88.52 156.17 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 0.744 . . . . 0.0 109.363 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.406 ' O ' ' CG ' ' A' ' 66' ' ' ASP . 3.9 m -140.34 179.05 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.423 ' CD ' ' O ' ' A' ' 48' ' ' SER . 5.1 ttpp -45.52 152.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.15 -1.33 77.02 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.757 ' HB3' HG21 ' A' ' 103' ' ' VAL . 68.3 m-20 -60.15 178.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.853 ' C ' HG23 ' A' ' 103' ' ' VAL . 0.8 OUTLIER -123.01 79.12 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.311 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.814 HD13 ' HB ' ' A' ' 103' ' ' VAL . 4.8 mm -67.61 140.46 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.818 ' O ' HG22 ' A' ' 76' ' ' VAL . 44.5 mtm -139.65 -46.15 0.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.742 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -127.24 144.18 51.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.605 HD12 HG11 ' A' ' 76' ' ' VAL . 41.0 mt -124.88 110.51 25.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.485 HD22 ' HB1' ' A' ' 91' ' ' ALA . 2.2 t-20 58.21 18.07 5.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.96 45.3 2.89 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.75 ' O ' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -135.99 101.89 4.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 0.758 . . . . 0.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.493 HG23 HG23 ' A' ' 77' ' ' THR . 6.6 mt -52.14 117.75 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.818 HG22 ' O ' ' A' ' 69' ' ' MET . 35.3 m -123.55 21.09 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.493 HG23 HG23 ' A' ' 75' ' ' ILE . 28.2 p -63.03 -23.22 67.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.401 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.07 26.98 6.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.563 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.3 OUTLIER -96.31 151.64 19.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.718 HG22 HG23 ' A' ' 38' ' ' VAL . 1.9 p -91.15 157.15 17.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.367 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.814 HD21 ' HA ' ' A' ' 35' ' ' GLU . 3.5 mt -39.64 -63.89 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -48.08 -65.16 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.563 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 34.6 mt-10 -38.89 -68.94 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -52.59 -66.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 84' ' ' ALA . 6.8 mt-10 -37.11 -61.84 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.09 -55.78 30.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.87 -68.66 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.442 ' HB2' HD13 ' A' ' 71' ' ' ILE . 6.7 tp -41.25 -51.02 3.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 90' ' ' LYS . 0.2 OUTLIER -50.89 -58.72 5.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 89' ' ' GLN . 8.7 mttm -38.49 -53.7 1.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.485 ' HB1' HD22 ' A' ' 72' ' ' ASN . . . -47.4 -68.78 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.592 ' CZ3' HG21 ' A' ' 99' ' ' ILE . 5.3 t-105 -50.38 -49.84 53.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 108.019 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 94' ' ' GLN . 3.0 m-80 -44.35 -50.58 9.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 93' ' ' ASN . 22.1 mt-30 -35.21 -43.02 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 110.346 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 96.98 31.58 6.88 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.467 ' CA ' ' HD3' ' A' ' 26' ' ' LYS . . . -64.07 -171.28 2.18 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -97.21 -44.55 6.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 0.751 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -142.35 162.73 34.73 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.592 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 1.9 tt -131.27 129.42 62.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.73 ' HB3' HD11 ' A' ' 21' ' ' LEU . 2.9 m-20 -96.91 108.9 21.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.553 HD12 HD12 ' A' ' 24' ' ' ILE . 95.2 mt -96.74 125.15 40.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.742 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 19.1 t -100.67 100.72 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.853 HG23 ' C ' ' A' ' 67' ' ' GLU . 1.3 p -134.83 140.84 44.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.418 ' HA ' ' HA ' ' A' ' 19' ' ' VAL . . . -71.88 168.96 16.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.424 HG23 ' HG3' ' A' ' 20' ' ' ARG . 41.4 t -90.59 151.28 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 43.1 t -178.54 117.78 0.24 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 108.282 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 18.4 Cg_endo -74.97 153.44 41.93 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.503 1.791 . . . . 0.0 111.045 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.4 Cg_endo -74.93 111.5 3.34 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.531 1.806 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -133.62 -51.95 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 66.02 111.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -177.81 95.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -156.04 110.26 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -166.29 110.81 0.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -165.58 74.09 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 179.93 120.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.2 t -65.75 -10.11 34.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.44 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 50.27 74.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.979 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.7 p -72.75 166.83 22.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 0.763 . . . . 0.0 110.024 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -109.28 145.46 35.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.93 -125.03 4.14 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.112 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -127.61 -164.58 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 0.787 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 49.75 59.6 4.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.442 HG23 ' N ' ' A' ' 8' ' ' MET . 2.1 t -167.75 -52.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 110.413 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.442 ' N ' HG23 ' A' ' 7' ' ' THR . 1.2 mpp? -51.53 -34.66 37.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -76.85 163.08 27.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 0.0 111.042 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.88 167.96 28.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.02 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -34.01 4.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.461 1.769 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -89.26 19.69 4.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -117.27 -52.46 2.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.423 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 4.5 pt -76.8 -57.89 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.411 ' N ' ' CG1' ' A' ' 14' ' ' ILE . . . 62.93 -128.81 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.02 28.39 12.95 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 14' ' ' ILE . 7.1 mttp -69.44 168.01 15.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.763 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -128.27 89.46 2.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 103' ' ' VAL . 1.0 OUTLIER -117.09 149.78 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.488 ' HG3' HG23 ' A' ' 105' ' ' VAL . 2.1 mtt180 -129.46 176.43 7.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 22' ' ' LEU . 3.4 tp -123.26 121.55 36.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.432 ' N ' HD12 ' A' ' 21' ' ' LEU . 19.7 mt -111.38 122.15 47.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.604 ' NH2' ' CH2' ' A' ' 98' ' ' TRP . 0.0 OUTLIER -93.88 125.31 38.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 110.324 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.79 HD12 HD12 ' A' ' 101' ' ' LEU . 59.7 mt -109.5 155.59 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.77 149.51 21.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.563 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 11.2 mttt -101.39 83.96 2.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -123.91 131.28 53.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.17 -80.03 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.485 1.116 . . . . 0.0 111.055 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -158.69 175.88 13.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 0.742 . . . . 0.0 110.001 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.841 HD21 HD21 ' A' ' 88' ' ' LEU . 26.6 tp -101.26 -38.16 8.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 41.37 64.9 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.747 HD11 ' CG1' ' A' ' 47' ' ' VAL . 47.1 tp -124.53 141.64 51.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.44 ' O ' HD23 ' A' ' 34' ' ' LEU . . . -107.47 148.46 29.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.697 HD23 ' HA ' ' A' ' 47' ' ' VAL . 46.2 mt -130.43 157.46 42.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.914 ' HA ' HD21 ' A' ' 81' ' ' LEU . 21.2 pt-20 -155.9 152.87 28.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.93 -144.65 16.72 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.454 1.096 . . . . 0.0 111.018 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.474 ' O ' ' C ' ' A' ' 38' ' ' VAL . . . 64.4 -161.72 38.08 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.797 HG13 ' N ' ' A' ' 39' ' ' ASP . 1.9 p 34.72 -149.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 109.347 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.797 ' N ' HG13 ' A' ' 38' ' ' VAL . 5.7 m-20 -89.64 50.98 1.99 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.475 ' CB ' ' CD ' ' A' ' 41' ' ' PRO . 0.9 OUTLIER -93.96 176.92 2.14 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 109.992 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 40' ' ' SER . 18.2 Cg_endo -75.06 -20.83 16.37 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.539 1.81 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.76 HG12 ' HG2' ' A' ' 44' ' ' LYS . 54.0 t -73.57 -66.39 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.79 25.77 19.19 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.76 ' HG2' HG12 ' A' ' 42' ' ' VAL . 18.5 pttt -171.23 176.09 4.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.5 t -99.63 116.82 43.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.4 m -135.91 133.77 50.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.747 ' CG1' HD11 ' A' ' 32' ' ' LEU . 74.8 t -58.92 117.2 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.502 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 44.0 t -70.49 -47.77 58.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.64 132.79 2.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 109.256 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.588 HG23 ' HB3' ' A' ' 56' ' ' ALA . 2.6 p -103.39 99.05 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -52.6 121.06 6.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -50.39 -23.06 2.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.31 49.33 3.22 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -145.95 177.46 24.31 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.537 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -75.47 -40.83 56.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.736 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.588 ' HB3' HG23 ' A' ' 50' ' ' VAL . . . -41.95 -59.98 1.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -54.62 -42.57 71.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.39 -49.6 44.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.278 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.448 ' NE2' ' O ' ' A' ' 23' ' ' ARG . 49.6 t-80 -50.31 -63.79 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.602 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.18 79.27 1.27 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.54 1.15 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -179.86 -56.89 0.08 OUTLIER Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.597 HG11 HD11 ' A' ' 24' ' ' ILE . 7.3 p -91.38 119.65 39.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 0.746 . . . . 0.0 109.35 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.9 m -123.78 -161.17 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.502 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.5 OUTLIER -74.98 138.48 42.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 104.86 -21.76 35.39 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.467 1.105 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.925 ' HB3' HG11 ' A' ' 103' ' ' VAL . 0.5 OUTLIER -52.32 130.8 31.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 109.266 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.777 ' O ' HG13 ' A' ' 103' ' ' VAL . 2.2 mt-10 -78.24 98.87 6.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.719 HD13 HG22 ' A' ' 103' ' ' VAL . 4.7 mm -77.68 136.47 24.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.546 ' O ' HG22 ' A' ' 76' ' ' VAL . 17.2 mtm -131.92 -46.32 0.94 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.097 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.566 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -130.04 146.65 51.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.671 HD13 ' HB2' ' A' ' 88' ' ' LEU . 37.5 mt -125.29 107.99 19.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.705 HD22 ' HB1' ' A' ' 91' ' ' ALA . 1.9 t-20 63.22 15.08 8.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 120.19 -52.71 0.71 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.24 136.15 25.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 0.748 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.707 HG23 HG23 ' A' ' 77' ' ' THR . 48.5 mt -78.35 133.38 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.546 HG22 ' O ' ' A' ' 69' ' ' MET . 15.2 m -123.36 22.93 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.707 HG23 HG23 ' A' ' 75' ' ' ILE . 28.9 p -59.36 -55.06 39.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.104 . . . . 0.0 110.404 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -103.04 35.58 2.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.443 ' CG ' ' HA ' ' A' ' 76' ' ' VAL . 0.3 OUTLIER -96.21 147.14 24.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.118 . . . . 0.0 110.999 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.654 HG22 HG23 ' A' ' 38' ' ' VAL . 2.6 p -89.61 157.05 18.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.434 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.914 HD21 ' HA ' ' A' ' 35' ' ' GLU . 3.6 mt -40.79 -63.03 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.75 -57.88 5.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.67 -68.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -54.46 -64.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 84' ' ' ALA . 11.0 mt-10 -37.47 -56.13 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 87' ' ' ALA . . . -63.16 -59.22 5.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 86' ' ' ALA . . . -40.29 -67.12 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.841 HD21 HD21 ' A' ' 30' ' ' LEU . 39.4 tp -40.84 -60.05 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.404 ' OE1' ' HA ' ' A' ' 89' ' ' GLN . 13.0 mm-40 -48.95 -58.93 4.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 93' ' ' ASN . 20.4 mttt -41.16 -65.58 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.705 ' HB1' HD22 ' A' ' 72' ' ' ASN . . . -42.07 -44.21 3.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.757 ' CZ3' HD13 ' A' ' 30' ' ' LEU . 10.8 t-105 -65.29 -47.03 78.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 107.98 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 90' ' ' LYS . 47.8 m-80 -59.0 -46.2 88.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 93' ' ' ASN . 14.5 mt-30 -37.13 -54.74 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 96' ' ' GLY . . . 142.3 -99.58 0.24 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.544 1.153 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 95' ' ' GLY . . . 52.2 172.81 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -97.78 -43.9 6.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 0.734 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.604 ' CH2' ' NH2' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -141.39 156.09 45.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 108.026 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 24' ' ' ILE . 1.9 tt -112.11 156.64 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -109.62 134.06 52.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.79 HD12 HD12 ' A' ' 24' ' ' ILE . 58.4 mt -131.83 117.08 18.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.566 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 86.7 t -99.13 98.35 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.925 HG11 ' HB3' ' A' ' 66' ' ' ASP . 41.8 t -114.64 147.97 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.81 147.59 29.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.488 HG23 ' HG3' ' A' ' 20' ' ' ARG . 36.3 t -68.76 153.1 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 42.2 t -148.5 120.03 4.36 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 108.293 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 161.82 38.15 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.526 1.803 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 110.93 3.21 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.493 1.786 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -132.05 -52.98 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 65.45 116.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.331 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -177.86 118.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -160.05 -52.67 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 45.17 91.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -157.23 87.28 0.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.255 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.424 HD23 ' H ' ' A' ' 116' ' ' THR . 1.4 tp -118.07 -108.32 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.424 ' H ' HD23 ' A' ' 115' ' ' LEU . 11.0 t -160.78 127.45 4.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.38 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -37.69 -39.43 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 111.06 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 8.3 p90 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.954 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t -89.78 89.45 7.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 110.004 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 64.78 70.82 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.281 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.85 147.2 5.96 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.789 ' O ' HG23 ' A' ' 7' ' ' THR . . . -56.41 -67.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.408 ' O ' HD12 ' A' ' 14' ' ' ILE . . . 55.01 23.97 5.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.404 1.065 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.789 HG23 ' O ' ' A' ' 5' ' ' ALA . 33.5 p -113.79 -54.8 2.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 110.37 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.4 mtm -41.63 -52.96 3.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.443 ' CE1' ' HB3' ' A' ' 69' ' ' MET . 36.4 m-85 -69.31 158.96 34.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.03 160.7 10.68 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.983 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -10.84 21.36 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.36 -2.26 16.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -103.88 7.59 36.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.254 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 17' ' ' LYS . 2.6 pt -131.48 -45.26 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 14' ' ' ILE . . . -39.76 108.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.26 -47.41 1.09 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.13 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 14' ' ' ILE . 0.6 OUTLIER -48.76 145.98 3.44 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 0.766 . . . . 0.0 109.25 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' A' ' 104' ' ' ALA . 61.9 m-20 -102.2 86.13 2.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.7 t -97.31 133.68 38.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.493 ' HG3' HG23 ' A' ' 105' ' ' VAL . 0.2 OUTLIER -130.02 122.08 27.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.286 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.623 HD11 ' OD2' ' A' ' 100' ' ' ASP . 9.1 tp -81.91 107.19 14.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.4 mt -97.71 153.15 18.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -126.17 101.65 6.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.266 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.756 HD12 HD12 ' A' ' 101' ' ' LEU . 26.4 mt -85.3 137.92 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.1 145.5 37.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.572 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 3.3 mttp -95.87 85.51 4.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.1 OUTLIER -127.31 136.44 51.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.12 -79.95 0.04 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 27' ' ' GLU . 1.1 p -158.34 -170.04 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.79 . . . . 0.0 109.946 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.79 HD13 ' CE3' ' A' ' 92' ' ' TRP . 48.3 tp -96.95 -61.11 1.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.465 ' OD1' ' CD2' ' A' ' 51' ' ' TYR . 2.0 t0 51.68 83.9 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.734 ' CD1' HG22 ' A' ' 50' ' ' VAL . 20.3 tp -149.46 154.33 38.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -121.21 148.03 44.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.502 HD23 ' HA ' ' A' ' 47' ' ' VAL . 62.0 mt -130.33 156.03 45.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.844 ' HA ' HD21 ' A' ' 81' ' ' LEU . 19.7 pt-20 -155.54 145.57 21.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.253 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.69 -147.57 18.65 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.479 ' O ' ' C ' ' A' ' 38' ' ' VAL . . . 63.05 -156.99 40.28 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.8 HG13 ' N ' ' A' ' 39' ' ' ASP . 2.1 p 34.13 -148.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.8 ' N ' HG13 ' A' ' 38' ' ' VAL . 6.4 m-20 -88.17 51.31 2.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 p -89.77 166.32 21.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -6.46 18.1 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.8 HG12 ' HG3' ' A' ' 44' ' ' LYS . 25.1 t -91.38 -58.96 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.31 29.43 27.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.8 ' HG3' HG12 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -166.93 173.18 9.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.777 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.8 t -96.52 128.01 48.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 35' ' ' GLU . 17.2 m -139.57 134.77 39.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.502 ' HA ' HD23 ' A' ' 34' ' ' LEU . 93.1 t -58.04 118.14 2.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.496 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 28.8 t -72.48 -49.27 34.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.986 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.99 145.72 5.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.734 HG22 ' CD1' ' A' ' 32' ' ' LEU . 51.9 t -102.68 89.68 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.465 ' CD2' ' OD1' ' A' ' 31' ' ' ASP . 15.6 m-85 -45.41 121.62 3.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.048 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -64.91 147.78 52.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.39 -40.95 2.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -59.62 -172.33 0.57 Allowed Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.633 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -81.14 -40.83 23.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.79 -54.56 11.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.98 -46.66 88.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -54.95 24.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.495 ' CG ' HG12 ' A' ' 24' ' ' ILE . 22.8 t-80 -41.09 -64.66 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.634 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.46 49.35 5.51 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -124.06 -63.54 0.19 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.474 HG23 ' OD2' ' A' ' 66' ' ' ASP . 9.9 p -95.9 140.43 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.776 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.5 m -116.31 -164.7 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.496 ' CD ' ' O ' ' A' ' 48' ' ' SER . 1.6 ttpp -84.68 152.35 23.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 67.85 42.54 86.05 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.736 ' HB3' HG21 ' A' ' 103' ' ' VAL . 0.4 OUTLIER -93.93 -174.06 3.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.987 ' C ' HG23 ' A' ' 103' ' ' VAL . 5.9 mt-10 -114.91 73.84 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.879 HD13 ' HB ' ' A' ' 103' ' ' VAL . 6.7 mm -72.56 148.03 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.827 ' O ' HG22 ' A' ' 76' ' ' VAL . 78.3 mtp -145.16 -46.89 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.634 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -129.32 141.16 51.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.584 HD13 ' HB2' ' A' ' 88' ' ' LEU . 73.6 mt -119.12 121.21 66.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 43.41 27.53 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.425 ' N ' ' C ' ' A' ' 71' ' ' ILE . . . 88.18 39.01 7.04 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.517 1.136 . . . . 0.0 111.038 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.776 ' O ' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -131.58 95.73 3.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.633 HG23 HG23 ' A' ' 77' ' ' THR . 30.6 mt -44.08 125.41 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.827 HG22 ' O ' ' A' ' 69' ' ' MET . 27.0 m -122.88 20.56 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.633 HG23 HG23 ' A' ' 75' ' ' ILE . 62.3 p -56.61 -67.78 0.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.373 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -94.92 42.45 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.448 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.3 OUTLIER -104.56 148.51 26.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.54 HG22 HG23 ' A' ' 38' ' ' VAL . 3.3 p -93.74 158.73 15.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.449 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.844 HD21 ' HA ' ' A' ' 35' ' ' GLU . 4.1 mt -39.94 -62.56 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -45.47 -64.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.448 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -39.67 -69.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -52.96 -65.96 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 81' ' ' LEU . 7.4 mt-10 -36.48 -53.4 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 110.343 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 87' ' ' ALA . . . -64.91 -58.65 5.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 86' ' ' ALA . . . -40.19 -66.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.169 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.584 ' HB2' HD13 ' A' ' 71' ' ' ILE . 32.7 tp -40.8 -61.05 1.02 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 92' ' ' TRP . 39.5 mm-40 -48.96 -62.61 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 89' ' ' GLN . 33.8 mttt -39.17 -45.73 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 88' ' ' LEU . . . -55.5 -51.56 66.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.79 ' CE3' HD13 ' A' ' 30' ' ' LEU . 8.1 t-105 -63.86 -46.25 85.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 108.018 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 94' ' ' GLN . 3.3 m-80 -46.43 -43.6 16.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 93' ' ' ASN . 19.2 mt-30 -35.72 -52.2 0.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 97.48 62.64 0.9 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.449 1.093 . . . . 0.0 111.047 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -104.6 179.37 24.42 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -83.57 -43.86 15.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 0.777 . . . . 0.0 109.338 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -142.28 160.53 40.07 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.487 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 5.4 tt -128.39 153.63 38.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.71 ' O ' HD23 ' A' ' 101' ' ' LEU . 2.4 m-20 -110.31 148.22 32.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.756 HD12 HD12 ' A' ' 24' ' ' ILE . 36.9 mt -144.06 113.02 6.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.634 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 60.1 t -87.56 104.28 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.987 HG23 ' C ' ' A' ' 67' ' ' GLU . 2.2 p -144.98 141.28 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.73 ' HB3' ' HB2' ' A' ' 67' ' ' GLU . . . -63.61 177.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.493 HG23 ' HG3' ' A' ' 20' ' ' ARG . 38.8 t -91.8 153.82 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 179.13 117.17 0.21 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 108.314 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.426 ' HG2' ' CB ' ' A' ' 110' ' ' GLU . 18.1 Cg_endo -75.04 147.7 34.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.478 1.778 . . . . 0.0 110.957 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.436 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 18.2 Cg_endo -75.0 134.19 17.5 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.79 . . . . 0.0 110.957 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.436 ' CB ' ' O ' ' A' ' 108' ' ' PRO . 0.7 OUTLIER 83.26 6.89 0.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.426 ' CB ' ' HG2' ' A' ' 107' ' ' PRO . 1.1 mm-40 -108.96 35.75 3.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -130.99 157.88 41.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -149.58 166.1 30.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.264 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -88.41 151.06 22.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.753 ' O ' HG23 ' A' ' 116' ' ' THR . 0.4 OUTLIER -75.97 -37.63 58.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.646 ' O ' HD23 ' A' ' 115' ' ' LEU . 0.9 OUTLIER 49.78 44.56 24.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.753 HG23 ' O ' ' A' ' 114' ' ' GLU . 19.6 p -137.01 89.83 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.391 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 58.86 73.72 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 111.037 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 0.0 110.977 -179.931 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -91.23 147.57 22.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 109.993 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.605 ' O ' HD23 ' A' ' 21' ' ' LEU . 19.0 mt-10 -148.7 -55.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.328 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.416 ' O ' ' HB3' ' A' ' 5' ' ' ALA . . . -84.07 -57.36 2.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.549 1.156 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 4' ' ' GLY . . . 66.92 115.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -179.37 -46.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.1 t -61.17 -18.08 56.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.374 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.1 ttm -73.18 -23.9 60.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.506 ' CD1' ' HE1' ' A' ' 69' ' ' MET . 89.2 m-85 -102.6 155.92 17.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.67 153.33 52.52 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.0 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -13.91 21.3 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.484 1.781 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.79 16.49 26.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -117.5 -54.2 2.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.2 pt -66.34 -39.81 85.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.31 115.07 0.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.38 -47.26 1.06 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -75.19 176.08 7.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.44 ' HB3' HG12 ' A' ' 105' ' ' VAL . 82.8 m-20 -130.24 86.62 2.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.244 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.8 t -74.12 122.9 28.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 103' ' ' VAL . 11.4 mtt-85 -131.38 120.93 23.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.432 1.082 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.718 HD12 ' N ' ' A' ' 22' ' ' LEU . 4.4 tp -87.19 129.67 34.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.718 ' N ' HD12 ' A' ' 21' ' ' LEU . 12.4 mt -118.45 117.9 30.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.43 ' NH2' ' CD2' ' A' ' 98' ' ' TRP . 0.2 OUTLIER -85.9 124.38 32.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.817 HD12 HD12 ' A' ' 101' ' ' LEU . 51.2 mt -110.24 150.27 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -86.93 142.38 28.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.522 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 8.1 mttt -92.22 89.16 6.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.5 OUTLIER -128.08 138.78 52.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.2 -82.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.523 ' O ' ' CZ2' ' A' ' 92' ' ' TRP . 1.5 p -154.19 -164.31 1.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.765 . . . . 0.0 110.005 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.702 HD23 ' NE2' ' A' ' 89' ' ' GLN . 26.2 tp -104.37 -63.3 1.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 52.36 84.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.348 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.475 HD11 HG22 ' A' ' 50' ' ' VAL . 32.9 tp -146.07 134.36 21.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.82 139.04 39.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.443 ' C ' HD21 ' A' ' 81' ' ' LEU . 70.7 mt -122.39 167.0 13.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.757 ' HA ' HD21 ' A' ' 81' ' ' LEU . 8.9 pt-20 -156.02 153.11 28.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.432 ' HA2' ' CB ' ' A' ' 40' ' ' SER . . . 74.36 -152.83 45.51 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 111.045 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . 97.36 -64.02 0.95 Allowed Glycine 0 CA--C 1.531 1.062 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.749 HG13 ' N ' ' A' ' 39' ' ' ASP . 4.4 p -69.33 -143.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.567 0.804 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.749 ' N ' HG13 ' A' ' 38' ' ' VAL . 21.2 m-20 -83.03 50.12 1.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.517 ' CB ' ' CD ' ' A' ' 41' ' ' PRO . 0.5 OUTLIER -92.75 179.16 1.38 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.517 ' CD ' ' CB ' ' A' ' 40' ' ' SER . 18.2 Cg_endo -74.96 -7.35 19.11 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.541 1.811 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.0 t -93.27 -51.31 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.341 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.77 -30.91 5.84 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 37' ' ' GLY . 14.3 mtmt -113.04 -175.02 2.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.1 t -102.34 122.43 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 66' ' ' ASP . 23.2 m -136.66 134.99 49.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.59 HG11 ' CG2' ' A' ' 50' ' ' VAL . 52.6 t -58.42 133.0 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.7 t -89.75 -40.12 12.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -164.25 134.77 4.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.59 ' CG2' HG11 ' A' ' 47' ' ' VAL . 83.7 t -103.41 90.18 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -46.83 122.19 4.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.437 ' HA ' ' CB ' ' A' ' 57' ' ' GLU . 41.0 tt0 -56.85 -42.73 80.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.89 -13.0 60.87 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.73 161.0 45.72 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.622 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -75.55 -14.4 60.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.403 ' HA ' HD13 ' A' ' 24' ' ' ILE . . . -68.79 -45.83 70.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.437 ' CB ' ' HA ' ' A' ' 52' ' ' GLU . 4.6 tm-20 -68.48 -48.66 63.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.8 mtt-85 -41.72 -34.79 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -73.92 -63.13 1.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.604 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 107.94 -109.12 2.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.88 -89.13 0.07 OUTLIER Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.4 t -130.64 148.32 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.758 . . . . 0.0 109.35 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.4 m -86.33 -160.18 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.097 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.421 ' HB2' HG12 ' A' ' 47' ' ' VAL . 0.3 OUTLIER -67.83 161.49 26.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.19 -17.62 58.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.433 ' OD1' HG23 ' A' ' 47' ' ' VAL . 42.3 p-10 -51.29 160.55 0.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.4 ' CD ' ' HZ2' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -106.64 104.0 13.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.431 HD13 HG22 ' A' ' 103' ' ' VAL . 3.9 mm -79.51 153.07 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.248 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.646 ' C ' HG22 ' A' ' 76' ' ' VAL . 71.3 mtp -142.99 -46.84 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.527 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -135.94 139.17 43.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.815 HD13 ' HB2' ' A' ' 88' ' ' LEU . 69.3 mt -117.51 111.6 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.818 ' ND2' ' HB1' ' A' ' 91' ' ' ALA . 2.5 m120 58.41 27.99 16.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 105.82 -46.76 1.13 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.48 133.36 35.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 0.734 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.887 HG23 HG23 ' A' ' 77' ' ' THR . 10.8 mt -77.73 131.01 35.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.646 HG22 ' C ' ' A' ' 69' ' ' MET . 15.2 m -123.8 23.07 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.887 HG23 HG23 ' A' ' 75' ' ' ILE . 36.2 p -52.17 -58.96 5.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.375 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -107.75 38.66 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.535 ' CG ' ' HA ' ' A' ' 76' ' ' VAL . 0.3 OUTLIER -91.09 150.33 21.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.691 HG22 HG23 ' A' ' 38' ' ' VAL . 5.1 p -94.46 159.03 15.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.354 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.757 HD21 ' HA ' ' A' ' 35' ' ' GLU . 3.1 mt -41.33 -62.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.86 -63.93 0.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.456 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 2.3 mm-40 -40.02 -69.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.317 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -52.48 -66.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 84' ' ' ALA . 9.1 mt-10 -36.52 -57.27 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 87' ' ' ALA . . . -61.39 -62.59 1.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 86' ' ' ALA . . . -39.67 -64.81 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.815 ' HB2' HD13 ' A' ' 71' ' ' ILE . 5.8 tp -44.59 -60.34 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.702 ' NE2' HD23 ' A' ' 30' ' ' LEU . 40.5 mm-40 -49.94 -56.98 8.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -39.8 -56.52 1.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.818 ' HB1' ' ND2' ' A' ' 72' ' ' ASN . . . -47.28 -45.71 24.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.704 ' CZ3' HG21 ' A' ' 99' ' ' ILE . 7.2 t-105 -67.81 -48.96 64.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 108.01 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 94' ' ' GLN . 5.2 m-80 -52.58 -45.4 66.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 93' ' ' ASN . 15.3 mt-30 -38.18 -38.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.77 97.49 1.1 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.494 1.121 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -139.2 -178.08 16.12 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.551 ' HB3' ' CD2' ' A' ' 98' ' ' TRP . 56.7 m-20 -91.14 -45.22 8.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.551 ' CD2' ' HB3' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -136.02 161.23 36.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 108.021 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.704 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 6.5 tt -136.41 142.07 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -101.8 142.27 33.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.817 HD12 HD12 ' A' ' 24' ' ' ILE . 46.3 mt -137.81 115.02 10.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.527 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 77.8 t -84.2 115.69 26.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.431 HG22 HD13 ' A' ' 68' ' ' ILE . 2.6 t -139.0 158.31 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -95.72 133.41 39.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.44 HG12 ' HB3' ' A' ' 18' ' ' ASP . 11.6 p -72.26 154.03 7.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 8.5 t -141.36 131.64 13.04 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 108.278 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 172.2 16.82 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.485 1.782 . . . . 0.0 111.027 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 116.74 4.66 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 110.956 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -140.26 -54.98 0.53 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 40.09 41.07 0.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.334 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -161.49 95.84 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 111.035 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -123.86 166.07 16.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -133.23 -178.04 4.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.616 ' C ' HD13 ' A' ' 115' ' ' LEU . 26.1 mt-10 54.21 88.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.817 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -133.06 -110.17 0.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.543 ' H ' HD23 ' A' ' 115' ' ' LEU . 0.5 OUTLIER -138.29 -43.14 0.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.412 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.52 ' CD1' ' O ' ' A' ' 116' ' ' THR . 30.4 m-85 -147.93 105.39 3.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.547 ' CD1' ' C ' ' A' ' 118' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 54.15 95.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 0.791 . . . . 0.0 109.971 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -88.58 102.08 14.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.339 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.26 127.19 2.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -118.58 -161.51 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.476 ' O ' HG23 ' A' ' 7' ' ' THR . . . 62.84 45.72 5.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 6' ' ' ALA . 2.1 p -153.48 -47.96 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 110.397 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -44.37 -53.22 7.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -54.14 -167.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 111.04 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.3 159.29 59.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -11.24 21.44 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.499 1.789 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -106.94 11.2 30.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.268 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -112.49 -50.94 2.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.2 pt -69.22 -40.0 79.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.86 124.21 12.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.37 -34.24 4.06 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -68.99 155.2 40.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 0.786 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.42 85.69 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.4 m -98.11 162.11 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.495 ' HG3' HG23 ' A' ' 105' ' ' VAL . 33.6 mtt180 -131.61 123.98 28.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.566 HD11 ' OD1' ' A' ' 100' ' ' ASP . 5.7 tp -83.54 114.61 21.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.432 ' N ' HD12 ' A' ' 21' ' ' LEU . 9.1 mt -100.4 145.5 28.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.482 ' HD3' ' CG ' ' A' ' 98' ' ' TRP . 17.1 ttm105 -120.93 111.76 17.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.642 HD12 HD12 ' A' ' 101' ' ' LEU . 17.1 mt -96.9 148.73 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -90.69 145.39 24.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.571 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 3.1 mttt -88.79 89.74 8.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -130.83 126.85 37.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.25 -71.33 0.09 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.457 1.098 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 27' ' ' GLU . 3.6 m 177.29 147.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.777 . . . . 0.0 110.026 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.668 HD21 HD21 ' A' ' 88' ' ' LEU . 9.3 tp -64.41 -60.48 3.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 58.06 68.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.673 HD11 ' CG1' ' A' ' 47' ' ' VAL . 16.7 tp -124.95 149.43 47.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -113.68 151.98 31.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.715 HD23 ' HA ' ' A' ' 47' ' ' VAL . 71.7 mt -133.21 156.78 46.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.92 ' HA ' HD21 ' A' ' 81' ' ' LEU . 17.6 pt-20 -152.51 150.97 30.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.356 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 109.61 -146.16 16.91 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 38' ' ' VAL . . . 74.58 -166.67 54.83 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.696 HG13 HG22 ' A' ' 80' ' ' THR . 2.6 m 39.98 -162.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.568 0.805 . . . . 0.0 109.348 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -83.17 50.46 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.472 ' CB ' ' CD ' ' A' ' 41' ' ' PRO . 1.0 OUTLIER -85.04 176.51 3.62 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 40' ' ' SER . 18.3 Cg_endo -74.98 -10.49 21.26 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.482 1.78 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.781 HG12 ' HG2' ' A' ' 44' ' ' LYS . 68.8 t -88.36 -57.27 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.241 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.9 25.34 58.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.781 ' HG2' HG12 ' A' ' 42' ' ' VAL . 18.3 pttt -168.11 169.16 11.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.9 t -93.46 130.59 42.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.9 m -143.27 133.59 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.715 ' HA ' HD23 ' A' ' 34' ' ' LEU . 73.8 t -59.09 117.55 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.517 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 8.5 t -70.62 -48.11 56.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.991 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.64 145.56 5.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.601 HG23 ' HB3' ' A' ' 56' ' ' ALA . 4.1 p -114.8 93.14 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.358 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -47.55 114.36 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.956 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -48.73 -23.25 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.265 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.03 43.87 3.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.099 . . . . 0.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -138.36 -166.15 10.56 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.506 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -90.39 -42.54 10.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 109.366 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.601 ' HB3' HG23 ' A' ' 50' ' ' VAL . . . -41.55 -56.08 2.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -58.94 -50.14 75.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.68 -47.26 20.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -59.26 -59.47 5.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.601 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.15 108.59 0.67 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.508 1.13 . . . . 0.0 110.96 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 162.58 -62.3 0.27 Allowed Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -87.3 124.52 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.444 0.732 . . . . 0.0 109.248 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.5 m -112.69 -165.03 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.517 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -89.54 151.68 21.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.4 44.81 57.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.83 179.14 4.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.585 0.815 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.69 ' O ' HG13 ' A' ' 103' ' ' VAL . 0.0 OUTLIER -102.54 97.79 7.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.315 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.4 HD13 HG22 ' A' ' 103' ' ' VAL . 6.0 mm -88.75 150.39 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.686 ' O ' HG22 ' A' ' 76' ' ' VAL . 6.4 mtm -146.07 -54.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -129.73 144.47 51.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.447 HG23 ' CD2' ' A' ' 101' ' ' LEU . 60.4 mt -120.49 109.58 26.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.76 HD22 ' HB1' ' A' ' 91' ' ' ALA . 1.9 t-20 59.03 25.1 13.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 0.0 109.266 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 107.44 -35.35 5.07 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.463 1.102 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.3 122.5 15.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.65 HG23 HG23 ' A' ' 77' ' ' THR . 15.1 mt -73.12 128.08 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.686 HG22 ' O ' ' A' ' 69' ' ' MET . 24.7 m -123.89 21.72 4.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.65 HG23 HG23 ' A' ' 75' ' ' ILE . 51.2 p -66.0 -14.71 62.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -139.86 26.99 2.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.53 ' CD2' HG12 ' A' ' 76' ' ' VAL . 0.9 OUTLIER -93.17 151.04 20.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.967 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.696 HG22 HG13 ' A' ' 38' ' ' VAL . 1.5 p -96.16 158.12 15.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.41 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.92 HD21 ' HA ' ' A' ' 35' ' ' GLU . 5.8 mt -38.78 -63.98 0.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 83' ' ' GLU . . . -46.68 -67.29 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 82' ' ' ALA . 12.9 mt-10 -38.9 -69.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -50.58 -65.83 0.49 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 84' ' ' ALA . 5.6 mt-10 -35.9 -53.52 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.327 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.37 -51.22 61.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 88' ' ' LEU . . . -48.4 -64.25 0.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.668 HD21 HD21 ' A' ' 30' ' ' LEU . 41.7 tp -40.33 -56.8 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -51.03 -55.23 18.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 93' ' ' ASN . 20.4 mttp -43.54 -65.7 0.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.76 ' HB1' HD22 ' A' ' 72' ' ' ASN . . . -39.89 -37.58 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.571 ' CZ2' ' HA ' ' A' ' 26' ' ' LYS . 24.2 t-105 -75.34 -50.07 17.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 107.99 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 90' ' ' LYS . 56.6 m-80 -55.36 -42.47 73.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 93' ' ' ASN . 24.8 mt-30 -35.81 -46.35 0.44 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.441 ' O ' ' NZ ' ' A' ' 26' ' ' LYS . . . 120.67 -91.65 0.49 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 95' ' ' GLY . . . 44.77 -170.57 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -98.23 -44.33 6.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 0.759 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.482 ' CG ' ' HD3' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -142.02 171.03 14.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 107.987 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.504 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 12.1 tt -118.99 160.5 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.566 ' OD1' HD11 ' A' ' 21' ' ' LEU . 1.9 m-20 -120.56 135.9 54.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.642 HD12 HD12 ' A' ' 24' ' ' ILE . 53.7 mt -131.71 120.81 23.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 15.7 t -90.41 111.53 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.69 HG13 ' O ' ' A' ' 67' ' ' GLU . 3.4 t -134.01 145.37 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.429 ' HB3' ' HB3' ' A' ' 67' ' ' GLU . . . -87.89 154.52 20.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.495 HG23 ' HG3' ' A' ' 20' ' ' ARG . 38.3 t -72.25 151.78 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 42.2 t -150.15 118.58 3.65 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.279 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 164.12 33.94 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.463 1.77 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 119.23 5.56 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 0.0 110.973 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.1 -46.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 63.93 114.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -40.86 139.09 0.91 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.71 127.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.51 140.61 29.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -146.82 90.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.682 ' O ' HD23 ' A' ' 115' ' ' LEU . 0.9 OUTLIER -90.62 44.48 1.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 39.2 p -137.31 100.9 4.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.433 ' O ' ' CD1' ' A' ' 118' ' ' PHE . 1.6 m-85 -53.47 96.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.433 ' CD1' ' O ' ' A' ' 117' ' ' PHE . 5.7 m-85 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 m 63.4 143.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 0.764 . . . . 0.0 110.014 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.8 158.05 36.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.57 -123.85 3.85 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.518 1.136 . . . . 0.0 110.957 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.32 67.62 7.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.476 ' HB1' HD12 ' A' ' 14' ' ' ILE . . . -116.34 43.47 2.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.152 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.5 p -122.97 -49.77 1.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.385 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -43.27 -54.54 4.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.496 ' HZ ' ' HB2' ' A' ' 70' ' ' ALA . 23.8 m-85 -72.62 140.55 48.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.1 170.66 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.005 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -36.21 2.65 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.587 1.835 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.38 12.14 10.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.315 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -108.27 -12.54 15.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.476 HD12 ' HB1' ' A' ' 6' ' ' ALA . 4.4 pt -125.34 -46.58 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.65 124.55 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.06 -26.95 20.5 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -88.1 168.22 12.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -126.73 92.02 3.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 103' ' ' VAL . 1.3 p -119.05 153.14 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.401 ' HG3' HG23 ' A' ' 105' ' ' VAL . 1.1 mtp180 -136.01 178.13 7.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.858 HD13 HG22 ' A' ' 102' ' ' VAL . 30.8 tp -129.13 121.94 28.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.533 HD11 HG11 ' A' ' 62' ' ' VAL . 6.8 mt -107.18 144.03 34.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.31 117.56 30.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.838 HD12 HD12 ' A' ' 101' ' ' LEU . 5.5 mt -99.37 154.92 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.7 ttpp -89.98 147.45 23.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.544 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 19.4 mttt -97.12 93.06 6.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -130.02 124.39 32.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.1 -78.32 0.29 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -156.21 -172.93 4.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 110.031 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.522 ' HB2' ' CD2' ' A' ' 92' ' ' TRP . 19.1 tp -91.33 -69.36 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.64 83.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.648 HD11 HG13 ' A' ' 47' ' ' VAL . 11.0 tp -149.18 130.45 14.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.99 137.28 32.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.1 mt -124.7 157.87 34.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.737 ' HA ' HD21 ' A' ' 81' ' ' LEU . 12.0 pt-20 -154.49 157.07 37.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.355 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.648 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . 97.79 -135.84 12.41 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.856 ' O ' HG12 ' A' ' 38' ' ' VAL . . . 54.98 170.77 0.06 OUTLIER Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.856 HG12 ' O ' ' A' ' 37' ' ' GLY . 2.4 p 55.22 -158.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.718 ' H ' HG22 ' A' ' 38' ' ' VAL . 73.9 m-20 -70.15 56.8 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.59 1.181 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.566 ' HB2' HG12 ' A' ' 42' ' ' VAL . 6.4 p -97.38 161.44 26.0 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.058 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.434 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.2 Cg_endo -75.0 -4.77 15.9 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.467 1.772 . . . . 0.0 110.99 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.852 HG22 ' HG3' ' A' ' 44' ' ' LYS . 1.5 p -88.77 -38.15 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.92 3.95 88.22 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.852 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -155.0 -171.26 3.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 0.765 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.9 t -104.31 139.12 26.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.501 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 3.6 m -146.36 133.74 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.648 HG13 HD11 ' A' ' 32' ' ' LEU . 82.1 t -61.48 127.29 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.493 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 29.1 t -81.96 -46.39 14.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.39 145.35 5.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.49 HG22 HD13 ' A' ' 32' ' ' LEU . 53.9 t -106.13 89.69 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -40.18 123.23 1.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -66.5 -13.65 61.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -100.3 63.45 0.62 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -167.9 -164.29 23.33 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.627 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -91.29 -36.42 13.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.43 -60.05 2.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -50.45 -54.1 24.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.292 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.81 -59.11 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -47.56 -60.79 2.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.576 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.59 -140.46 24.35 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.128 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.15 -57.91 4.0 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.533 HG11 HD11 ' A' ' 22' ' ' LEU . 17.1 m -117.53 168.67 8.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 0.742 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 33.7 m -131.98 -173.84 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.493 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -59.85 159.66 8.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.17 -23.5 31.28 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.548 1.155 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.875 ' HB3' HG11 ' A' ' 103' ' ' VAL . 1.5 m-20 -40.17 146.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.787 ' C ' HG13 ' A' ' 103' ' ' VAL . 9.3 mt-10 -88.56 93.01 9.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.707 HD13 HG22 ' A' ' 103' ' ' VAL . 22.1 mm -70.94 149.39 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.631 ' O ' HG22 ' A' ' 76' ' ' VAL . 3.8 mtm -146.2 -54.83 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.575 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -125.71 130.83 52.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.74 HD13 ' HB2' ' A' ' 88' ' ' LEU . 83.9 mt -109.53 107.59 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.673 HD22 ' HB1' ' A' ' 91' ' ' ALA . 3.9 t-20 58.4 29.89 18.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 103.21 -41.71 2.06 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.454 1.097 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.71 128.1 34.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.477 HG23 HG23 ' A' ' 77' ' ' THR . 12.5 mt -74.12 125.53 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.631 HG22 ' O ' ' A' ' 69' ' ' MET . 13.3 m -123.69 23.1 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.477 HG23 HG23 ' A' ' 75' ' ' ILE . 32.0 p -54.89 -62.91 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.42 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -101.59 39.23 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.455 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -93.27 157.95 16.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.989 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.591 HG22 ' CB ' ' A' ' 38' ' ' VAL . 3.0 p -99.17 158.57 15.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.387 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.737 HD21 ' HA ' ' A' ' 35' ' ' GLU . 4.6 mt -40.94 -62.65 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 83' ' ' GLU . . . -47.26 -66.86 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.36 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.455 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 66.4 mt-10 -37.49 -69.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -52.31 -66.24 0.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 81' ' ' LEU . 7.7 mt-10 -37.69 -68.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.339 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.58 -61.2 2.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 83' ' ' GLU . . . -40.16 -67.53 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.74 ' HB2' HD13 ' A' ' 71' ' ' ILE . 18.6 tp -40.54 -50.46 2.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 92' ' ' TRP . 4.3 mm-40 -56.33 -57.68 11.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 89' ' ' GLN . 52.3 mttt -38.25 -52.29 1.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.673 ' HB1' HD22 ' A' ' 72' ' ' ASN . . . -51.51 -50.18 60.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.708 ' CZ3' HG21 ' A' ' 99' ' ' ILE . 7.7 t-105 -64.43 -48.22 76.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 107.999 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 94' ' ' GLN . 3.2 m-80 -46.42 -44.51 17.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 93' ' ' ASN . 20.3 mt-30 -37.41 -45.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 95.84 42.18 3.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.522 1.139 . . . . 0.0 110.964 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -78.45 179.87 51.64 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -84.67 -43.59 14.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 109.324 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -141.56 172.79 12.2 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.708 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 4.0 tt -141.39 133.88 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.725 ' HB3' HD11 ' A' ' 21' ' ' LEU . 1.2 m-20 -95.62 136.7 35.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.838 HD12 HD12 ' A' ' 24' ' ' ILE . 75.7 mt -129.25 119.64 24.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.858 HG22 HD13 ' A' ' 21' ' ' LEU . 38.5 t -91.71 117.62 35.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.875 HG11 ' HB3' ' A' ' 66' ' ' ASP . 35.9 t -139.33 147.74 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 109.247 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.466 ' HB3' ' HB2' ' A' ' 67' ' ' GLU . . . -87.14 148.21 25.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.401 HG23 ' HG3' ' A' ' 20' ' ' ARG . 52.9 t -72.8 151.27 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 7.0 t -137.31 124.28 13.77 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 108.311 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 18.1 Cg_endo -75.04 150.0 37.35 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.787 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.3 Cg_endo -75.02 121.12 6.37 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.52 1.8 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.4 pttm -115.58 -49.9 2.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -117.75 -131.2 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 110.333 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -161.16 -47.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 60.79 149.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -60.47 108.01 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -118.55 72.68 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.491 HD23 ' H ' ' A' ' 116' ' ' THR . 1.5 tp -121.43 -116.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.59 HG23 ' N ' ' A' ' 117' ' ' PHE . 4.9 t -158.72 -159.14 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 0.0 110.429 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.59 ' N ' HG23 ' A' ' 116' ' ' THR . 0.3 OUTLIER 71.9 4.75 5.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.947 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 7.2 p90 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 111.035 179.927 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 m -149.06 149.32 30.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 110.042 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -158.43 123.39 4.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 110.286 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.07 -94.94 1.19 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.544 ' O ' ' HB3' ' A' ' 6' ' ' ALA . . . 65.2 140.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 5' ' ' ALA . . . 73.79 -67.55 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.3 t -60.41 -45.75 92.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.411 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.28 -38.55 19.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -97.48 172.2 7.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.51 155.82 73.66 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -16.08 20.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.47 1.774 . . . . 0.0 110.959 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.78 15.81 28.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -117.23 -55.7 2.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.6 pt -66.43 -44.45 90.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.34 136.73 12.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.16 -42.08 2.76 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -79.48 172.54 13.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 0.739 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.39 98.42 5.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.405 ' HA ' ' HA ' ' A' ' 104' ' ' ALA . 0.4 OUTLIER -132.07 158.05 43.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.409 ' HG3' ' CG2' ' A' ' 105' ' ' VAL . 6.9 mtp180 -144.73 175.25 10.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.273 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.537 HD13 HG22 ' A' ' 102' ' ' VAL . 10.3 tp -114.9 117.56 31.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.751 HD12 HG23 ' A' ' 62' ' ' VAL . 75.7 mt -103.33 136.62 42.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.436 ' O ' ' NE2' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -112.17 125.22 53.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.302 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.69 HD12 HD12 ' A' ' 101' ' ' LEU . 21.7 mt -105.83 153.71 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -97.9 144.76 27.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.573 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 1.9 mttt -90.08 87.83 7.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -126.92 118.19 24.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.72 -76.15 1.76 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -168.89 172.26 7.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 109.986 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.517 ' HB2' ' CD2' ' A' ' 92' ' ' TRP . 36.5 tp -79.08 -85.3 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.584 1.178 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 69.52 87.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.349 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.672 HD11 HG22 ' A' ' 50' ' ' VAL . 30.3 tp -147.13 130.67 16.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.12 130.82 38.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.2 mt -119.03 157.25 28.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.726 ' CA ' HD21 ' A' ' 81' ' ' LEU . 13.1 pt-20 -156.35 162.51 40.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.327 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.661 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . 92.57 -138.06 13.99 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.88 ' O ' HG12 ' A' ' 38' ' ' VAL . . . 54.84 172.01 0.07 OUTLIER Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.88 HG12 ' O ' ' A' ' 37' ' ' GLY . 2.6 p 55.52 -158.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.74 ' H ' HG22 ' A' ' 38' ' ' VAL . 11.1 m-20 -70.04 57.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.544 ' HB2' HG12 ' A' ' 42' ' ' VAL . 9.6 p -100.19 161.55 23.82 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.003 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.446 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.3 Cg_endo -75.03 -10.0 20.98 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.865 HG22 ' HG3' ' A' ' 44' ' ' LYS . 1.5 p -82.51 -38.42 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.349 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.29 6.21 87.72 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.865 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -157.17 -171.44 3.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 0.769 . . . . 0.0 109.319 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 43.8 t -105.66 139.58 26.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.448 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 10.3 m -146.44 133.83 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 69.0 t -60.01 123.47 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 t -74.44 -48.41 27.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.994 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.3 147.19 6.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.672 HG22 HD11 ' A' ' 32' ' ' LEU . 53.9 t -104.36 91.4 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -45.85 115.47 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -52.49 -34.79 51.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.95 66.74 3.51 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.81 177.1 41.7 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.599 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -81.2 -17.27 50.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.21 -51.7 62.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -66.42 -42.77 87.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.86 -52.84 17.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.436 ' NE2' ' O ' ' A' ' 23' ' ' ARG . 22.9 t-80 -46.48 -60.83 2.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.631 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.47 58.65 2.52 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -142.64 -61.33 0.03 OUTLIER Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.751 HG23 HD12 ' A' ' 22' ' ' LEU . 2.3 t -89.39 126.5 42.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.6 m -116.48 -163.83 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -82.31 133.28 35.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.02 -16.47 42.73 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.951 ' HB3' HG11 ' A' ' 103' ' ' VAL . 0.8 OUTLIER -53.26 141.54 23.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.811 ' O ' HG13 ' A' ' 103' ' ' VAL . 13.6 mt-10 -89.29 99.84 12.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.358 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.591 HD13 HG22 ' A' ' 103' ' ' VAL . 18.4 mm -76.87 137.93 21.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.625 ' C ' HG22 ' A' ' 76' ' ' VAL . 7.4 mtm -131.73 -44.02 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.433 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -135.96 137.89 41.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.638 HD13 ' HB2' ' A' ' 88' ' ' LEU . 83.5 mt -118.95 107.2 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.598 ' ND2' ' HB1' ' A' ' 91' ' ' ALA . 2.0 t-20 81.21 -52.71 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -175.77 -37.73 0.05 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.15 137.74 57.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.431 0.724 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.467 HG23 HG23 ' A' ' 77' ' ' THR . 10.2 mt -72.42 129.96 35.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.625 HG22 ' C ' ' A' ' 69' ' ' MET . 14.9 m -122.36 23.17 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.467 HG23 HG23 ' A' ' 75' ' ' ILE . 17.3 p -58.64 -66.05 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.32 38.19 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.524 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -94.9 160.68 14.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.159 . . . . 0.0 110.988 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.545 HG22 ' CB ' ' A' ' 38' ' ' VAL . 2.8 p -99.78 157.51 16.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 110.399 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.726 HD21 ' CA ' ' A' ' 35' ' ' GLU . 7.4 mt -40.89 -63.57 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.96 -62.43 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.524 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 4.6 mm-40 -41.93 -69.53 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -52.6 -65.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 81' ' ' LEU . 7.6 mt-10 -35.7 -66.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.359 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 87' ' ' ALA . . . -55.65 -54.13 47.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 86' ' ' ALA . . . -40.26 -63.19 0.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.638 ' HB2' HD13 ' A' ' 71' ' ' ILE . 27.8 tp -50.14 -50.32 49.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -52.34 -58.25 7.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 91' ' ' ALA . 23.3 mttt -43.46 -65.5 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.598 ' HB1' ' ND2' ' A' ' 72' ' ' ASN . . . -38.77 -59.99 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.599 ' CH2' ' HB3' ' A' ' 55' ' ' ALA . 13.7 t-105 -54.91 -51.74 65.09 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 94' ' ' GLN . 6.7 m-80 -50.1 -52.85 31.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 93' ' ' ASN . 12.7 mt-30 -35.37 -56.1 0.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 96' ' ' GLY . . . 142.45 -93.9 0.18 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.115 . . . . 0.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 95' ' ' GLY . . . 50.98 175.32 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -97.48 -43.56 7.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.484 ' CA ' ' HD2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -139.37 168.14 20.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 108.0 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.532 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 3.8 tt -127.44 148.04 32.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.568 ' O ' HD23 ' A' ' 101' ' ' LEU . 3.1 m-20 -105.23 140.71 37.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.132 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.69 HD12 HD12 ' A' ' 24' ' ' ILE . 44.9 mt -140.53 115.28 9.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.537 HG22 HD13 ' A' ' 21' ' ' LEU . 43.1 t -93.5 108.46 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.951 HG11 ' HB3' ' A' ' 66' ' ' ASP . 46.5 t -126.02 147.55 30.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.08 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' A' ' 19' ' ' VAL . . . -75.9 145.15 40.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.409 ' CG2' ' HG3' ' A' ' 20' ' ' ARG . 77.6 t -69.91 144.43 13.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -159.14 122.25 2.0 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.143 . . . . 0.0 108.362 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 157.48 42.92 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 110.76 3.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.508 1.794 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -166.91 -45.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 62.86 114.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.231 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.465 ' CE2' ' OD1' ' A' ' 113' ' ' ASP . 0.5 OUTLIER -179.08 123.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -92.96 -47.39 7.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.465 ' OD1' ' CE2' ' A' ' 111' ' ' TYR . 2.1 m-20 61.52 178.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 41.48 74.44 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.33 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.1 tp -119.02 -134.39 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.5 t -129.71 6.18 5.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.437 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -105.97 -43.51 4.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 111.009 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.48 97.47 4.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 109.994 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -54.05 177.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.88 -129.97 2.08 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.496 ' O ' ' HB3' ' A' ' 6' ' ' ALA . . . -150.07 167.96 25.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 0.791 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 5' ' ' ALA . . . 71.15 -63.46 0.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 7' ' ' THR . 52.7 p -52.92 -36.97 60.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.4 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.941 ' HG2' HD11 ' A' ' 75' ' ' ILE . 2.1 tpp -55.1 -25.99 35.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.087 . . . . 0.0 110.967 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.54 ' CE1' HD12 ' A' ' 75' ' ' ILE . 27.4 m-85 -114.16 173.91 6.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.458 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.2 OUTLIER -89.86 175.64 3.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.022 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.458 ' CD ' ' CB ' ' A' ' 10' ' ' SER . 18.4 Cg_endo -75.04 -38.54 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -84.85 2.48 42.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -102.89 -10.1 19.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 pt -126.61 -59.11 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 63.6 -128.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.95 28.81 6.87 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -80.36 153.17 28.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 0.757 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.642 ' HB3' HG12 ' A' ' 105' ' ' VAL . 8.3 m-20 -98.93 102.39 14.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.474 ' O ' HG22 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -109.09 111.62 36.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -119.77 136.73 54.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.317 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.467 HD12 ' N ' ' A' ' 22' ' ' LEU . 12.3 tp -100.3 128.55 46.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.467 ' N ' HD12 ' A' ' 21' ' ' LEU . 8.0 mt -125.5 149.19 48.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.42 118.05 33.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.761 HD13 HD12 ' A' ' 101' ' ' LEU . 2.7 mt -98.91 155.14 3.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -90.81 142.97 27.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.544 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 4.9 mttm -92.66 70.72 4.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' SER . 4.5 tp10 -118.23 143.25 46.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.32 -76.31 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' GLU . 2.3 m -173.07 -174.16 1.03 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 0.0 110.028 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.511 ' HB2' ' CD2' ' A' ' 92' ' ' TRP . 31.4 tp -92.96 -82.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 66.58 88.75 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 50' ' ' VAL . 5.8 tp -149.14 132.73 16.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.76 137.51 33.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.3 mt -123.97 158.12 32.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.752 ' HA ' HD21 ' A' ' 81' ' ' LEU . 11.2 pt-20 -155.79 158.28 37.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.715 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . 97.08 -139.35 14.44 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.452 1.095 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.835 ' O ' HG12 ' A' ' 38' ' ' VAL . . . 57.94 173.75 0.37 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.835 HG12 ' O ' ' A' ' 37' ' ' GLY . 2.6 p 54.21 -157.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.769 . . . . 0.0 109.251 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.74 ' H ' HG22 ' A' ' 38' ' ' VAL . 6.9 t70 -70.31 57.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.457 ' HB2' HG12 ' A' ' 42' ' ' VAL . 19.6 p -101.51 161.33 23.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.175 . . . . 0.0 110.022 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.447 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.3 Cg_endo -75.0 -18.63 18.58 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.868 HG22 ' HG3' ' A' ' 44' ' ' LYS . 1.7 p -72.62 -39.29 60.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 70.89 15.24 73.79 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.868 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -162.67 -179.93 7.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 0.743 . . . . 0.0 109.275 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.4 t -100.33 136.29 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.406 HG12 ' O ' ' A' ' 66' ' ' ASP . 20.9 m -144.88 134.14 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.6 t -59.39 116.95 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.485 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 47.2 t -70.56 -46.94 62.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.034 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.63 143.53 4.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.423 ' HA ' HD12 ' A' ' 32' ' ' LEU . 92.8 t -101.15 91.29 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.166 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -49.66 123.24 7.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.447 ' HA ' ' CG ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -66.06 160.17 24.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.296 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.06 -49.13 3.01 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.55 -176.89 0.21 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.637 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -75.74 -44.47 41.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.38 -55.74 6.9 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.447 ' CG ' ' HA ' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -56.68 -51.85 67.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -51.46 -48.62 62.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 110.249 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -54.55 -64.42 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.648 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.76 -151.15 21.07 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.554 1.159 . . . . 0.0 110.968 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.57 -63.59 0.63 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.695 HG23 ' CG ' ' A' ' 66' ' ' ASP . 9.5 p -88.72 130.2 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.5 m -120.29 -166.15 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.485 ' CD ' ' O ' ' A' ' 48' ' ' SER . 3.2 ttpp -79.69 142.52 35.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 104.59 -11.53 50.3 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.695 ' CG ' HG23 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -53.3 -178.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.762 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.517 ' HB2' ' HB3' ' A' ' 104' ' ' ALA . 3.9 mt-10 -131.12 70.75 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.471 HG22 HG21 ' A' ' 76' ' ' VAL . 1.3 mm -47.37 142.86 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.881 ' O ' HG22 ' A' ' 76' ' ' VAL . 88.0 mtp -131.66 -52.79 1.0 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.744 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -129.37 150.1 50.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.663 HD12 HG11 ' A' ' 76' ' ' VAL . 27.2 mt -131.64 112.4 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.532 HD22 ' HB1' ' A' ' 91' ' ' ALA . 2.8 t-20 59.75 19.71 8.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 111.19 -40.22 2.62 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.137 . . . . 0.0 110.97 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.81 137.24 45.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.755 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.941 HD11 ' HG2' ' A' ' 8' ' ' MET . 30.6 mm -85.24 130.56 35.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.881 HG22 ' O ' ' A' ' 69' ' ' MET . 13.6 m -122.98 22.84 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.855 HG23 HG23 ' A' ' 75' ' ' ILE . 38.0 p -54.36 -73.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -94.33 42.15 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.467 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.3 OUTLIER -97.86 150.38 21.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.105 . . . . 0.0 111.025 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.535 HG22 ' CB ' ' A' ' 38' ' ' VAL . 2.3 p -91.88 157.27 16.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.431 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.752 HD21 ' HA ' ' A' ' 35' ' ' GLU . 6.0 mt -39.29 -63.38 0.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.6 -64.34 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.467 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 30.8 mt-10 -39.31 -69.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -53.08 -66.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 84' ' ' ALA . 8.0 mt-10 -35.91 -57.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.303 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.53 -58.67 7.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.84 -59.0 1.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.611 ' HB2' HD13 ' A' ' 71' ' ' ILE . 8.0 tp -48.27 -58.37 4.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 90' ' ' LYS . 11.4 mm100 -52.08 -61.27 2.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 89' ' ' GLN . 9.7 mttp -37.86 -49.65 1.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.532 ' HB1' HD22 ' A' ' 72' ' ' ASN . . . -53.39 -56.27 18.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.704 ' CZ3' HG21 ' A' ' 99' ' ' ILE . 8.4 t-105 -59.44 -47.04 87.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 108.035 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 94' ' ' GLN . 3.0 m-80 -46.63 -46.97 20.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 93' ' ' ASN . 19.8 mt-30 -36.41 -58.59 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 104.44 105.74 3.04 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.449 ' CA ' ' HD3' ' A' ' 26' ' ' LYS . . . -146.66 -166.78 12.46 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -97.22 -43.25 7.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -141.34 156.34 45.85 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.704 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 11.0 tt -131.4 138.15 53.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 72' ' ' ASN . 1.1 m-20 -98.02 119.99 37.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.761 HD12 HD13 ' A' ' 24' ' ' ILE . 66.7 mt -117.82 113.9 22.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.365 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.744 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 36.8 t -83.82 118.41 31.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 66' ' ' ASP . 0.2 OUTLIER -150.28 140.92 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.626 ' HB1' ' O ' ' A' ' 18' ' ' ASP . . . -78.94 149.94 32.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.642 HG12 ' HB3' ' A' ' 18' ' ' ASP . 11.9 p -89.52 149.35 4.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.8 t -176.52 127.55 0.33 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 108.314 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 171.31 18.56 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.531 1.806 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 109.84 3.0 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.496 1.787 . . . . 0.0 111.039 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.81 -47.61 1.04 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 65.43 116.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.75 107.02 3.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -98.11 119.72 37.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 113' ' ' ASP . 7.0 p-10 -175.54 102.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -122.74 -40.12 2.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.425 HD23 ' H ' ' A' ' 116' ' ' THR . 2.0 tp -131.39 -117.95 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.425 ' H ' HD23 ' A' ' 115' ' ' LEU . 3.0 t -168.05 133.82 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.388 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -70.52 72.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -147.05 87.28 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.76 . . . . 0.0 109.979 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -177.73 156.37 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.56 -149.26 24.59 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.536 1.147 . . . . 0.0 111.001 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.459 ' O ' ' HB2' ' A' ' 6' ' ' ALA . . . -70.72 174.45 5.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 0.801 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . 177.83 -44.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.1 t -62.83 -31.78 72.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.401 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.7 ttm -63.14 -22.18 66.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.402 ' CE2' HG11 ' A' ' 19' ' ' VAL . 91.2 m-85 -105.88 139.97 39.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.77 162.13 12.99 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -26.16 11.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.551 1.817 . . . . 0.0 111.042 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.66 19.34 7.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 -116.95 -60.31 1.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 110.262 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.499 ' O ' ' CD ' ' A' ' 17' ' ' LYS . 2.9 pt -63.33 -56.33 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 40.09 74.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 17' ' ' LYS . . . 87.05 -42.53 3.16 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.513 1.133 . . . . 0.0 110.951 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.499 ' CD ' ' O ' ' A' ' 14' ' ' ILE . 4.8 mttt -39.7 107.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.747 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.77 102.04 8.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.626 HG22 ' HE3' ' A' ' 69' ' ' MET . 22.4 t -72.68 131.67 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.607 ' HG3' HG23 ' A' ' 105' ' ' VAL . 3.9 mtp180 -117.82 123.7 46.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.541 HD11 ' CG ' ' A' ' 100' ' ' ASP . 2.4 tp -95.54 111.48 23.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.564 ' HB3' ' CE1' ' A' ' 59' ' ' HIS . 1.6 mt -103.51 159.48 15.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -126.81 117.28 22.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.873 HD13 HD12 ' A' ' 101' ' ' LEU . 3.3 mt -108.98 140.34 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -83.77 148.94 26.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.586 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 0.6 OUTLIER -95.12 77.17 3.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 58' ' ' ARG . 1.1 tt0 -135.65 118.32 16.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.22 60.42 4.13 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 45.04 -169.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.589 HD13 ' CZ3' ' A' ' 92' ' ' TRP . 58.9 tp -106.84 -64.44 1.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 62.46 68.51 0.66 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.509 HD23 HD21 ' A' ' 88' ' ' LEU . 5.8 tp -132.9 133.07 42.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.401 ' O ' HD23 ' A' ' 34' ' ' LEU . . . -94.03 146.79 23.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 47' ' ' VAL . 19.3 mt -132.02 157.98 42.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.895 ' HA ' HD21 ' A' ' 81' ' ' LEU . 25.6 pt-20 -155.97 161.98 40.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 0.0 110.336 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.558 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . 93.59 -144.57 17.17 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . 66.85 -170.97 31.79 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.806 HG13 ' N ' ' A' ' 39' ' ' ASP . 1.8 p 36.68 -149.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 0.741 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.806 ' N ' HG13 ' A' ' 38' ' ' VAL . 56.3 m-20 -77.94 54.6 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 78.4 p -90.17 160.36 40.29 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.982 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.448 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.2 Cg_endo -74.96 -3.25 13.64 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.538 1.809 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.892 HG22 ' HG2' ' A' ' 44' ' ' LYS . 2.4 p -92.41 -40.81 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.96 11.46 84.48 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.447 1.092 . . . . 0.0 110.991 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.892 ' HG2' HG22 ' A' ' 42' ' ' VAL . 23.7 pttt -159.58 177.34 11.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 0.793 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.9 t -97.45 133.45 39.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.6 m -146.29 134.49 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.585 HG23 HD11 ' A' ' 68' ' ' ILE . 74.3 t -58.36 128.06 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.526 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 44.0 t -82.09 -45.6 15.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.43 146.14 5.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.863 HG23 ' HB3' ' A' ' 56' ' ' ALA . 1.5 p -114.13 90.11 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -45.24 116.38 1.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 111.049 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -43.09 -39.62 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.47 54.01 4.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -146.94 -167.47 13.05 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.515 ' CB ' ' CH2' ' A' ' 92' ' ' TRP . . . -91.54 -47.32 7.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.863 ' HB3' HG23 ' A' ' 50' ' ' VAL . . . -41.92 -47.71 4.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.406 ' C ' ' CD ' ' A' ' 57' ' ' GLU . 6.4 tm-20 -52.57 -54.59 30.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.333 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.403 ' CZ ' ' HB3' ' A' ' 27' ' ' GLU . 51.3 mtm180 -42.63 -54.91 3.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 22' ' ' LEU . 25.2 t-80 -40.36 -66.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.599 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' GLY . . . 85.61 -43.85 3.29 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 60' ' ' GLY . . . -37.03 -47.62 1.35 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.427 HG11 HD11 ' A' ' 22' ' ' LEU . 2.4 m -120.95 165.08 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 64' ' ' LYS . 11.2 m -144.29 -152.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.526 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -86.64 142.23 28.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.32 -25.81 22.19 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.108 . . . . 0.0 110.949 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.477 ' HB3' ' CG1' ' A' ' 103' ' ' VAL . 44.3 m-20 -51.67 -177.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.763 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.462 ' CG ' ' HE3' ' A' ' 44' ' ' LYS . 0.6 OUTLIER -120.55 106.25 11.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.613 HD13 HG22 ' A' ' 103' ' ' VAL . 6.4 mm -81.26 141.47 15.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.808 ' O ' HG22 ' A' ' 76' ' ' VAL . 25.1 mtm -129.23 -54.55 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.66 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -122.81 153.26 39.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.78 HD13 ' HB2' ' A' ' 88' ' ' LEU . 42.1 mt -132.7 107.24 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.576 HD22 ' HB1' ' A' ' 91' ' ' ALA . 3.8 t-20 63.85 16.3 9.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 113.34 -37.06 3.76 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.2 122.46 16.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 0.757 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.848 HG23 HG23 ' A' ' 77' ' ' THR . 34.5 mt -67.44 133.01 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.808 HG22 ' O ' ' A' ' 69' ' ' MET . 18.8 m -123.11 23.15 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.251 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.848 HG23 HG23 ' A' ' 75' ' ' ILE . 25.5 p -52.9 -66.2 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.43 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.59 39.44 1.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.537 ' CG ' ' HA ' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -94.84 137.96 33.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.55 HG22 HG23 ' A' ' 38' ' ' VAL . 6.1 p -80.41 157.04 26.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.425 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.895 HD21 ' HA ' ' A' ' 35' ' ' GLU . 4.1 mt -40.75 -63.21 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.36 -49.79 42.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.39 -69.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -56.87 -62.73 1.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 84' ' ' ALA . 5.0 mt-10 -38.11 -49.36 1.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.49 -61.37 1.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.78 -58.17 1.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.78 ' HB2' HD13 ' A' ' 71' ' ' ILE . 49.3 tp -50.85 -60.09 3.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -50.4 -57.43 7.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.271 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 91' ' ' ALA . 0.7 OUTLIER -40.53 -65.21 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.576 ' HB1' HD22 ' A' ' 72' ' ' ASN . . . -38.63 -58.49 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.589 ' CZ3' HD13 ' A' ' 30' ' ' LEU . 7.0 t-105 -56.33 -52.77 63.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 107.976 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 94' ' ' GLN . 16.1 m-80 -49.81 -52.45 32.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 93' ' ' ASN . 13.0 mt-30 -36.49 -55.05 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.342 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.419 ' O ' ' HD3' ' A' ' 26' ' ' LYS . . . 142.8 -94.28 0.18 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 95' ' ' GLY . . . 51.99 172.89 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -97.58 -43.63 7.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.428 ' C ' ' HD2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -139.91 175.73 9.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 107.996 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.498 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 3.7 tt -139.7 143.88 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.541 ' CG ' HD11 ' A' ' 21' ' ' LEU . 23.3 m-20 -103.58 113.09 26.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.873 HD12 HD13 ' A' ' 24' ' ' ILE . 60.1 mt -109.06 112.24 24.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.66 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 42.1 t -87.35 108.53 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.613 HG22 HD13 ' A' ' 68' ' ' ILE . 42.6 t -122.1 146.28 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.38 161.04 21.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.607 HG23 ' HG3' ' A' ' 20' ' ' ARG . 62.1 t -88.6 149.13 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -160.97 147.1 11.33 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 108.333 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -74.96 151.91 40.31 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.542 1.811 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.2 Cg_endo -75.02 -175.76 2.53 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.495 1.787 . . . . 0.0 110.959 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 178.98 -40.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -90.83 38.67 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -112.96 152.85 28.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -177.93 91.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -81.49 -51.05 8.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 77.15 -55.52 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.343 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.403 ' HG ' ' N ' ' A' ' 116' ' ' THR . 0.7 OUTLIER -166.82 -42.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.827 HG23 ' H ' ' A' ' 118' ' ' PHE . 13.3 t -98.74 -143.07 0.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.406 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.604 ' N ' HG23 ' A' ' 116' ' ' THR . 0.1 OUTLIER -147.4 29.03 0.96 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 111.051 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.827 ' H ' HG23 ' A' ' 116' ' ' THR . 3.1 p90 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.45 139.35 6.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 110.015 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 61.76 147.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.33 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.99 -123.44 2.21 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.559 1.162 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.665 ' O ' ' HB3' ' A' ' 6' ' ' ALA . . . -67.67 -64.17 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 5' ' ' ALA . . . 81.57 -61.21 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 63.0 p -50.8 -43.66 58.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 110.419 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.412 ' HG2' HD11 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -47.37 -32.64 5.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -109.08 176.72 4.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.72 163.62 53.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.032 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -12.61 21.45 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.47 1.773 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.82 8.29 30.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.263 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -108.45 -40.16 5.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 17' ' ' LYS . 2.0 pt -80.97 -36.47 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.17 124.34 1.85 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.89 -43.74 3.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.449 1.093 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 14' ' ' ILE . 1.1 mttm -58.47 153.38 16.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 0.733 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -129.87 91.33 3.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.76 156.22 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.6 167.68 20.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 22' ' ' LEU . 12.5 tp -110.49 122.99 49.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.409 ' N ' HD12 ' A' ' 21' ' ' LEU . 33.4 mt -116.24 121.2 41.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.76 122.97 33.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.824 HD12 HD12 ' A' ' 101' ' ' LEU . 41.0 mt -107.32 125.31 63.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.241 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -66.89 138.41 57.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.58 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 2.9 mttt -86.78 83.99 7.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -135.36 121.53 20.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.09 78.65 0.13 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.132 . . . . 0.0 111.005 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.6 ' O ' ' CZ2' ' A' ' 92' ' ' TRP . 0.2 OUTLIER 41.52 -161.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 0.736 . . . . 0.0 109.987 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.853 HD13 ' CZ3' ' A' ' 92' ' ' TRP . 47.6 tp -108.22 -75.19 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 75.26 69.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.725 ' CD1' HG22 ' A' ' 50' ' ' VAL . 15.4 tp -136.02 132.45 36.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.36 141.56 34.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.452 HD22 ' O ' ' A' ' 46' ' ' VAL . 84.5 mt -128.45 160.78 31.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.963 ' HA ' HD21 ' A' ' 81' ' ' LEU . 10.3 pt-20 -153.24 171.59 18.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 97.03 -135.29 12.14 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 38' ' ' VAL . . . 48.55 -170.19 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.46 ' O ' ' O ' ' A' ' 37' ' ' GLY . 1.1 m 40.51 -163.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 109.269 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -76.37 53.3 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.452 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 9.5 p -93.38 165.2 18.8 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.452 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.4 Cg_endo -74.96 -4.79 15.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.532 1.807 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.906 HG12 ' HG3' ' A' ' 44' ' ' LYS . 97.1 t -88.66 -47.64 15.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.45 27.91 62.62 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.906 ' HG3' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -177.54 167.62 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.758 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.8 t -91.48 139.07 18.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.479 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 23.1 m -146.25 -166.16 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.4 t -108.89 112.25 39.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.464 1.103 . . . . 0.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.508 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 15.1 t -71.92 -46.24 58.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.51 150.36 7.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.725 HG22 ' CD1' ' A' ' 32' ' ' LEU . 24.7 t -110.96 89.75 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -46.83 122.52 4.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -64.58 160.27 19.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.09 -43.89 3.29 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.138 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.64 -168.98 0.03 OUTLIER Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.478 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -82.57 -47.39 12.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.405 ' CB ' HD13 ' A' ' 32' ' ' LEU . . . -44.47 -57.09 3.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -49.83 -54.22 20.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.82 -54.78 7.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -46.43 -65.7 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.612 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 83.13 -149.18 26.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.553 1.158 . . . . 0.0 110.966 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.25 -59.2 4.0 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.6 m -115.8 158.84 16.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.41 ' O ' ' CG ' ' A' ' 66' ' ' ASP . 19.7 m -137.68 176.17 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.508 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -40.37 147.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.34 -39.3 2.95 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.492 ' HB3' HG11 ' A' ' 103' ' ' VAL . 3.6 m-20 -42.05 157.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 109.242 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.506 ' HB3' ' HB3' ' A' ' 104' ' ' ALA . 39.3 tt0 -109.15 112.88 25.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.514 HD13 HG22 ' A' ' 103' ' ' VAL . 5.0 mm -83.03 135.42 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.781 ' O ' HG22 ' A' ' 76' ' ' VAL . 80.6 mtp -120.81 -50.94 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 74' ' ' LYS . . . -134.67 139.67 45.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.629 HG23 ' CD2' ' A' ' 101' ' ' LEU . 33.7 mt -115.23 117.76 56.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 100' ' ' ASP . 1.1 t-20 51.53 22.34 1.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.409 ' O ' ' SD ' ' A' ' 8' ' ' MET . . . 114.44 -44.83 1.41 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 111.041 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -41.7 153.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 109.333 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.662 HG23 HG23 ' A' ' 77' ' ' THR . 12.1 mm -100.45 118.15 46.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.781 HG22 ' O ' ' A' ' 69' ' ' MET . 11.4 m -123.64 22.73 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.662 HG23 HG23 ' A' ' 75' ' ' ILE . 34.2 p -60.05 -34.1 72.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.366 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -133.34 37.13 3.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.352 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.566 ' CE1' ' O ' ' A' ' 75' ' ' ILE . 0.8 OUTLIER -89.0 167.62 13.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.944 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.41 HG22 HG13 ' A' ' 38' ' ' VAL . 1.2 p -107.11 157.01 18.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.392 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.963 HD21 ' HA ' ' A' ' 35' ' ' GLU . 6.7 mt -41.87 -63.08 0.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.48 -64.04 0.89 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -39.93 -69.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -52.8 -65.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 81' ' ' LEU . 5.6 mt-10 -37.41 -40.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 110.353 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -76.16 -57.79 3.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.09 -61.42 1.77 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.548 ' HB2' HD13 ' A' ' 71' ' ' ILE . 32.3 tp -40.96 -50.01 3.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 92' ' ' TRP . 9.9 mm100 -59.16 -64.49 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 89' ' ' GLN . 61.8 mttt -38.32 -50.67 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.95 -50.63 60.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.853 ' CZ3' HD13 ' A' ' 30' ' ' LEU . 15.1 t-105 -64.63 -50.39 67.33 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 94' ' ' GLN . 13.8 m-80 -43.73 -43.76 6.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 93' ' ' ASN . 13.4 mt-30 -36.53 -53.51 0.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.256 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 94.92 104.87 1.95 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.439 1.087 . . . . 0.0 111.043 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.477 ' CA ' ' HD3' ' A' ' 26' ' ' LYS . . . -148.33 -164.67 11.55 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.422 ' HB3' ' CD1' ' A' ' 98' ' ' TRP . 1.3 t0 -97.49 -43.86 7.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.422 ' CD1' ' HB3' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -141.67 146.94 36.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 107.99 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.679 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 12.2 tt -119.31 138.12 51.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 72' ' ' ASN . 1.1 m-20 -92.06 130.69 37.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.824 HD12 HD12 ' A' ' 24' ' ' ILE . 22.1 mt -134.54 112.68 11.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 21.9 t -80.75 124.68 38.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.514 HG22 HD13 ' A' ' 68' ' ' ILE . 8.9 t -136.88 141.89 39.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.506 ' HB3' ' HB3' ' A' ' 67' ' ' GLU . . . -87.2 150.67 23.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 54.0 t -80.09 150.84 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 4.9 t -144.21 129.84 9.74 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 108.286 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -74.98 151.41 39.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.523 1.802 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.494 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 18.4 Cg_endo -74.99 139.91 24.86 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.507 1.793 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 108' ' ' PRO . 0.0 OUTLIER 164.66 -47.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.338 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 67.47 114.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.246 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -154.74 145.88 22.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -100.3 123.06 44.07 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -68.12 162.1 25.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.54 ' O ' HD12 ' A' ' 115' ' ' LEU . 0.5 OUTLIER -98.65 -34.75 10.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.54 HD12 ' O ' ' A' ' 114' ' ' GLU . 0.0 OUTLIER 177.61 -83.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 56.3 p -135.46 -143.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.28 -45.2 9.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 22.5 p90 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.976 . . . . . . . . 0 0 . 1 . 011 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 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -157.65 -58.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.773 . . . . 0.0 109.967 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -69.13 146.82 52.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.99 92.67 0.09 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.502 1.127 . . . . 0.0 110.997 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 43.18 80.12 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 109.337 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.455 ' HB1' HD12 ' A' ' 14' ' ' ILE . . . -127.32 16.44 7.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.1 p -98.94 -45.79 5.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.361 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.406 ' HE2' ' HB2' ' A' ' 8' ' ' MET . 0.0 OUTLIER -47.96 -51.65 22.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -73.77 173.34 9.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.24 159.48 56.44 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.982 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -16.31 20.39 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.477 1.777 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -103.52 15.37 29.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -115.92 -52.89 2.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.455 HD12 ' HB1' ' A' ' 6' ' ' ALA . 2.2 pt -67.28 -41.29 86.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.29 126.51 11.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.05 -48.41 1.14 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.454 1.096 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -72.98 168.39 19.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 0.792 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.501 ' HB3' HG12 ' A' ' 105' ' ' VAL . 71.1 m-20 -115.68 86.1 2.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 39.4 t -82.87 123.73 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.9 mtt180 -126.41 123.64 38.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.889 HD11 ' CG ' ' A' ' 100' ' ' ASP . 21.1 tp -92.86 116.88 29.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.468 HD11 HG21 ' A' ' 62' ' ' VAL . 15.3 mt -104.9 148.35 26.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.574 ' NH1' ' CD2' ' A' ' 98' ' ' TRP . 2.3 ttm-85 -116.8 109.28 16.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.256 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.502 ' O ' ' CB ' ' A' ' 98' ' ' TRP . 69.4 mt -96.82 153.17 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -93.04 138.96 31.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.58 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 29.4 mttt -88.09 80.62 7.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.164 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 29' ' ' SER . 7.8 tp10 -121.53 137.6 54.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.96 -79.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.563 ' O ' ' CZ2' ' A' ' 92' ' ' TRP . 1.2 p -156.63 -170.77 3.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 0.762 . . . . 0.0 110.02 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.585 HD13 ' CE3' ' A' ' 92' ' ' TRP . 35.5 tp -96.78 -61.45 1.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 53.09 84.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.491 HD23 HD21 ' A' ' 88' ' ' LEU . 49.4 tp -149.25 131.59 15.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.25 137.5 33.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 47' ' ' VAL . 37.0 mt -127.52 154.97 44.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.964 ' HA ' HD21 ' A' ' 81' ' ' LEU . 13.0 pt-20 -156.5 155.43 31.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.529 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . 105.4 -152.65 17.24 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.469 1.105 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . 65.72 -168.8 31.28 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.796 HG13 ' N ' ' A' ' 39' ' ' ASP . 1.7 p 36.25 -148.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.796 ' N ' HG13 ' A' ' 38' ' ' VAL . 9.1 t0 -78.47 52.54 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 96.1 p -92.2 158.87 38.48 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.3 Cg_endo -74.94 3.41 5.61 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.847 HG22 ' HG3' ' A' ' 44' ' ' LYS . 1.4 p -103.48 -45.15 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.43 9.61 81.38 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.847 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -157.84 167.66 29.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.747 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.6 t -85.35 137.22 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 15.5 m -146.99 134.55 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.459 ' HA ' HD23 ' A' ' 34' ' ' LEU . 72.2 t -58.34 119.92 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.511 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 3.3 t -75.96 -46.4 29.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.025 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.92 145.58 5.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.3 t -101.11 89.85 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -40.24 135.55 1.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -83.49 138.52 33.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.34 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 103.96 -39.35 2.84 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -57.07 -170.53 0.15 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.644 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -86.07 -31.42 21.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.18 -55.52 32.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -58.41 -46.48 86.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.349 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.66 -51.38 12.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.451 ' CG ' HG12 ' A' ' 24' ' ' ILE . 30.3 t-80 -52.55 -65.58 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.558 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.425 ' O ' ' ND1' ' A' ' 59' ' ' HIS . . . 78.28 -169.9 54.63 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.122 . . . . 0.0 111.045 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.23 -30.12 8.05 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.468 HG21 HD11 ' A' ' 22' ' ' LEU . 2.0 t -131.57 157.8 43.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.4 ' N ' ' CG1' ' A' ' 62' ' ' VAL . 26.8 m -125.23 -166.02 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.511 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.1 OUTLIER -77.88 167.75 21.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.65 -0.4 89.21 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.973 ' HB3' HG21 ' A' ' 103' ' ' VAL . 0.5 OUTLIER -57.58 154.41 11.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.967 ' C ' HG23 ' A' ' 103' ' ' VAL . 3.4 mt-10 -93.1 73.08 4.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.606 HD13 ' HB ' ' A' ' 103' ' ' VAL . 15.4 mm -58.09 142.66 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.659 ' O ' HG22 ' A' ' 76' ' ' VAL . 25.1 mtm -142.12 -45.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.719 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -136.44 137.05 40.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.741 HD12 HG11 ' A' ' 76' ' ' VAL . 29.6 mt -116.6 108.56 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 71' ' ' ILE . 1.7 t-20 82.48 -52.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -176.55 -37.31 0.05 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.2 tptt -64.88 141.29 58.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 0.752 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.816 HG23 HG23 ' A' ' 77' ' ' THR . 26.5 mt -78.68 132.12 32.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.741 HG11 HD12 ' A' ' 71' ' ' ILE . 11.6 m -122.63 22.95 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.816 HG23 HG23 ' A' ' 75' ' ' ILE . 40.8 p -57.56 -64.93 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.407 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -97.35 40.46 1.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.563 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.3 OUTLIER -100.11 152.01 20.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.557 HG22 HG23 ' A' ' 38' ' ' VAL . 6.6 p -90.18 153.53 20.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.416 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.964 HD21 ' HA ' ' A' ' 35' ' ' GLU . 5.1 mt -39.9 -64.72 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -45.82 -55.09 7.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.563 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -45.78 -69.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -54.94 -63.08 1.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 84' ' ' ALA . 22.5 mt-10 -36.49 -47.25 0.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 110.326 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.09 -61.2 1.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.2 -51.9 2.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.627 ' HB2' HD13 ' A' ' 71' ' ' ILE . 4.6 tp -56.21 -62.93 1.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.578 ' OE1' HD23 ' A' ' 30' ' ' LEU . 13.8 mm100 -48.32 -50.61 29.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 89' ' ' GLN . 23.6 mttt -39.73 -58.74 1.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.409 ' O ' ' NZ ' ' A' ' 26' ' ' LYS . . . -46.29 -44.2 16.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.644 ' CH2' ' HB3' ' A' ' 55' ' ' ALA . 5.3 t-105 -68.65 -48.88 62.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 108.021 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 94' ' ' GLN . 5.3 m-80 -53.46 -45.53 69.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 93' ' ' ASN . 14.0 mt-30 -36.46 -43.42 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.275 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 95.0 66.48 1.0 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.443 1.089 . . . . 0.0 111.034 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -106.49 -166.18 22.73 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -97.83 -44.87 6.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.766 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.574 ' CD2' ' NH1' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -142.6 175.48 9.77 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.495 HG23 ' HB ' ' A' ' 24' ' ' ILE . 5.5 tt -140.77 140.93 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.889 ' CG ' HD11 ' A' ' 21' ' ' LEU . 1.7 m-20 -100.23 143.02 30.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.455 HD11 HD12 ' A' ' 24' ' ' ILE . 75.1 mt -128.35 126.04 39.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.719 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 38.9 t -103.12 99.4 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.973 HG21 ' HB3' ' A' ' 66' ' ' ASP . 3.5 p -146.27 147.27 18.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 18' ' ' ASP . . . -69.8 143.88 52.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.501 HG12 ' HB3' ' A' ' 18' ' ' ASP . 9.0 p -80.52 148.67 5.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 42.2 t -155.73 117.03 2.28 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 108.291 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 18.2 Cg_endo -75.05 149.83 37.06 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.471 1.774 . . . . 0.0 110.951 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.3 Cg_endo -75.02 119.9 5.84 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.495 1.787 . . . . 0.0 111.027 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 171.98 -36.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -152.16 104.79 3.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -54.94 -172.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -156.54 119.67 4.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 174.09 179.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 60.19 85.54 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -139.8 32.05 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 18.8 p -121.15 83.59 2.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.415 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 57.56 81.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 111.041 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 47.83 96.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.764 . . . . 0.0 109.957 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.1 -69.22 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.12 116.66 3.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.482 1.114 . . . . 0.0 111.05 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.465 ' O ' ' HB3' ' A' ' 6' ' ' ALA . . . -60.26 -172.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 5' ' ' ALA . . . 69.82 13.84 8.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.8 p -105.51 -38.87 6.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.407 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.459 ' O ' HD11 ' A' ' 75' ' ' ILE . 3.2 mpp? -89.51 43.96 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 111.052 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -146.53 164.47 32.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.79 161.18 78.8 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.027 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -27.75 9.86 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.9 16.8 13.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -116.87 -53.63 2.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.3 pt -68.95 -41.26 81.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.31 124.45 6.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.27 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.8 -41.05 3.04 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -62.03 161.16 11.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 109.299 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.54 86.07 2.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 92.6 t -95.86 131.01 43.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.439 ' HG3' HG23 ' A' ' 105' ' ' VAL . 7.9 mtp180 -132.37 132.3 42.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.671 HD12 ' N ' ' A' ' 22' ' ' LEU . 1.8 tp -90.77 119.72 31.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.671 ' N ' HD12 ' A' ' 21' ' ' LEU . 9.1 mt -113.29 144.56 42.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.5 ttp-105 -120.39 115.59 23.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.747 HD12 HD12 ' A' ' 101' ' ' LEU . 53.7 mt -98.25 155.04 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -89.79 144.83 25.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.253 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.537 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 16.5 mttt -96.33 76.9 2.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -121.84 133.08 54.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.82 -76.17 0.71 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 2.6 m -169.92 -175.07 1.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.771 . . . . 0.0 110.002 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.693 HD23 HE21 ' A' ' 89' ' ' GLN . 27.1 tp -91.65 -85.98 0.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 72.21 87.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.512 ' CD1' HG22 ' A' ' 50' ' ' VAL . 6.1 tp -149.62 130.19 13.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.408 ' O ' HD23 ' A' ' 34' ' ' LEU . . . -94.33 151.73 19.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.582 ' C ' HD21 ' A' ' 81' ' ' LEU . 83.2 mt -132.99 158.35 42.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.55 ' O ' HG22 ' A' ' 46' ' ' VAL . 16.8 pt-20 -156.34 142.27 18.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 110.272 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.548 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . 108.42 -138.76 14.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . 60.75 -165.51 14.31 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.764 HG13 ' N ' ' A' ' 39' ' ' ASP . 2.9 p 33.41 -145.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.775 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.764 ' N ' HG13 ' A' ' 38' ' ' VAL . 4.7 p-10 -80.39 52.16 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 96.3 p -88.07 160.33 46.39 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.588 1.18 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.447 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.4 Cg_endo -74.96 -2.61 12.76 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.529 1.805 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.902 HG22 ' HG3' ' A' ' 44' ' ' LYS . 3.0 p -94.39 -41.2 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.42 -1.99 86.18 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.902 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -146.29 162.26 38.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 0.782 . . . . 0.0 109.237 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.8 t -79.45 139.53 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 35' ' ' GLU . 17.0 m -146.94 134.46 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.18 128.78 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.6 t -80.22 -47.56 14.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.966 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.86 151.79 7.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.523 HG21 ' O ' ' A' ' 62' ' ' VAL . 52.9 t -108.97 89.74 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 -41.37 120.93 1.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.49 -21.2 66.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -98.01 55.65 1.14 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.59 -165.07 13.83 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.608 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -90.58 -32.77 16.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.55 -57.59 7.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' ARG . 8.5 tm-20 -54.01 -52.68 60.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -38.16 -58.49 0.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.493 ' CG ' HG12 ' A' ' 24' ' ' ILE . 41.7 t-80 -50.29 -64.11 0.91 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 0.0 109.595 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.75 68.35 1.48 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.547 1.154 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -139.81 -59.18 0.04 OUTLIER Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.523 ' O ' HG21 ' A' ' 50' ' ' VAL . 11.4 p -90.81 124.29 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.439 HG23 ' N ' ' A' ' 64' ' ' LYS . 2.8 m -103.88 -165.17 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.439 ' N ' HG23 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -84.87 149.05 25.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.52 45.83 82.0 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.71 -172.25 3.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.667 ' HB2' ' HB3' ' A' ' 104' ' ' ALA . 59.5 mt-10 -115.84 56.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.8 mm -54.32 139.44 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.706 ' O ' HG22 ' A' ' 76' ' ' VAL . 22.8 mtm -134.82 -51.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.679 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -127.28 152.66 47.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.837 HD13 ' HB2' ' A' ' 88' ' ' LEU . 26.5 mt -126.96 115.36 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 49.85 23.89 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 115.31 -56.73 0.5 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.428 1.08 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.1 126.89 11.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 0.78 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.677 HG23 HG23 ' A' ' 77' ' ' THR . 25.9 mt -73.15 133.8 31.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.706 HG22 ' O ' ' A' ' 69' ' ' MET . 16.0 m -122.64 23.13 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.677 HG23 HG23 ' A' ' 75' ' ' ILE . 9.1 p -54.01 -79.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.392 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -90.59 41.54 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.432 ' CG ' ' HA ' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -98.59 156.05 16.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.513 HG22 ' CB ' ' A' ' 38' ' ' VAL . 11.3 p -96.66 154.23 17.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.331 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.582 HD21 ' C ' ' A' ' 34' ' ' LEU . 2.0 mt -38.55 -65.99 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 83' ' ' GLU . . . -41.28 -66.87 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -37.2 -70.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.334 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -53.41 -58.76 5.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 81' ' ' LEU . 11.7 mm-40 -36.79 -57.96 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.254 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.32 -56.08 11.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.26 -49.61 2.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.837 ' HB2' HD13 ' A' ' 71' ' ' ILE . 38.4 tp -63.92 -57.06 10.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.693 HE21 HD23 ' A' ' 30' ' ' LEU . 4.5 mm-40 -49.92 -60.0 3.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 89' ' ' GLN . 25.6 mttt -37.85 -51.83 1.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 88' ' ' LEU . . . -51.74 -50.78 59.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.679 ' CZ3' HG21 ' A' ' 99' ' ' ILE . 8.1 t-105 -64.4 -48.94 73.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 108.014 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 94' ' ' GLN . 3.0 m-80 -44.28 -42.62 6.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 93' ' ' ASN . 26.5 mt-30 -38.23 -43.64 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 92.68 29.75 10.47 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -66.8 -174.63 6.42 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.422 ' HB2' ' CE2' ' A' ' 98' ' ' TRP . 1.3 m-20 -88.44 -43.11 11.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 0.749 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.422 ' CE2' ' HB2' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -141.15 174.92 10.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 107.975 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.679 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 5.8 tt -142.23 137.89 29.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.57 ' CG ' HD11 ' A' ' 21' ' ' LEU . 9.1 m-20 -97.41 138.84 34.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.747 HD12 HD12 ' A' ' 24' ' ' ILE . 49.8 mt -128.12 128.72 45.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.679 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 59.1 t -101.46 100.69 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 104' ' ' ALA . 0.2 OUTLIER -144.66 136.09 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.667 ' HB3' ' HB2' ' A' ' 67' ' ' GLU . . . -62.1 -178.42 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.439 HG23 ' HG3' ' A' ' 20' ' ' ARG . 76.8 t -93.07 148.23 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 179.15 117.65 0.21 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 108.328 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 165.73 30.72 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.782 . . . . 0.0 111.047 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 120.9 6.26 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.485 1.781 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.73 -48.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 65.68 116.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 110.255 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.43 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 0.6 OUTLIER -47.42 -48.5 26.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 111' ' ' TYR . 2.6 t70 77.44 -65.13 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -86.33 177.68 7.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.19 77.48 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.9 tp -115.2 -132.75 0.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -111.37 -8.23 14.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.451 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -48.55 -37.03 16.74 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.0 m -49.89 144.4 6.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 0.732 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -176.37 107.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.593 ' O ' ' HB3' ' A' ' 5' ' ' ALA . . . -172.1 81.45 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.135 . . . . 0.0 111.02 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 4' ' ' GLY . . . 76.49 -57.17 0.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 5' ' ' ALA . . . -39.27 -70.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.2 p -47.13 -45.27 22.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.384 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.7 ttm -54.31 -27.16 33.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 111.041 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.41 ' HE2' ' HB1' ' A' ' 5' ' ' ALA . 71.7 m-85 -108.16 141.1 40.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.14 157.94 5.59 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 110.001 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -17.36 19.63 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -101.04 16.75 24.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.103 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -116.74 -53.96 2.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.5 pt -66.95 -40.33 85.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.27 119.92 2.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.54 -43.0 3.08 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -57.57 173.19 0.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 0.758 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -131.61 88.62 2.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.1 t -104.28 147.18 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.549 ' HG3' HG23 ' A' ' 105' ' ' VAL . 17.0 mtt180 -144.27 121.85 11.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.623 HD12 ' O ' ' A' ' 101' ' ' LEU . 27.2 tp -102.81 129.45 49.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 mt -123.15 152.66 40.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 109.32 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.04 128.81 55.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.732 HD12 HD12 ' A' ' 101' ' ' LEU . 51.6 mt -120.33 149.75 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.88 148.2 32.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.577 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 20.6 mttt -94.72 77.82 3.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.642 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 1.7 tp10 -130.85 155.28 46.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 40.54 58.65 2.48 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.447 ' C ' ' NE1' ' A' ' 92' ' ' TRP . 0.6 OUTLIER 48.21 -167.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.748 . . . . 0.0 109.992 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.531 HD13 ' CE3' ' A' ' 92' ' ' TRP . 43.8 tp -97.01 -69.93 0.74 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 70.55 61.54 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.709 HD23 HD21 ' A' ' 88' ' ' LEU . 29.8 tp -134.41 146.36 49.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -114.4 154.42 28.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 47' ' ' VAL . 52.7 mt -132.7 155.18 49.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.933 ' HA ' HD21 ' A' ' 81' ' ' LEU . 12.2 pt-20 -156.35 144.92 20.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.06 -143.95 18.28 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.486 1.117 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 38' ' ' VAL . . . 52.62 -166.39 1.22 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.807 HG13 ' N ' ' A' ' 39' ' ' ASP . 1.3 p 36.31 -151.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 0.79 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.807 ' N ' HG13 ' A' ' 38' ' ' VAL . 7.4 p-10 -80.74 51.9 1.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.3 p -97.62 161.12 26.9 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -4.72 15.82 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.869 HG12 ' HG2' ' A' ' 44' ' ' LYS . 78.2 t -90.19 -46.37 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.55 23.37 77.11 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.869 ' HG2' HG12 ' A' ' 42' ' ' VAL . 25.9 pttt -168.76 169.6 9.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 0.785 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.1 t -91.46 128.95 42.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 35' ' ' GLU . 28.0 m -144.66 134.58 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.643 HG13 HD11 ' A' ' 32' ' ' LEU . 38.4 t -58.48 114.81 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.477 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 3.4 t -64.35 -47.71 78.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.024 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.38 146.68 6.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.49 HG23 HG11 ' A' ' 47' ' ' VAL . 55.9 t -108.99 93.31 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -52.03 135.62 30.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.07 -11.8 60.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.303 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -100.47 56.45 0.8 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.575 1.172 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -161.5 -170.19 25.84 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.661 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -86.05 -36.41 19.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.33 -59.97 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 58' ' ' ARG . 12.4 tm-20 -53.68 -52.17 60.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -38.5 -46.31 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.258 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.512 ' CG ' HG12 ' A' ' 24' ' ' ILE . 53.5 t-80 -71.47 -64.98 0.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.572 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.75 -109.36 3.83 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.543 1.152 . . . . 0.0 110.96 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 55.01 -91.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.42 HG22 ' N ' ' A' ' 63' ' ' VAL . 10.7 p -87.56 165.09 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.755 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.42 ' N ' HG22 ' A' ' 62' ' ' VAL . 29.7 m -132.54 -166.15 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.477 ' CD ' ' O ' ' A' ' 48' ' ' SER . 1.4 ttpt -66.74 159.2 28.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.84 -12.09 58.08 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.861 ' HB2' HG21 ' A' ' 103' ' ' VAL . 2.3 p-10 -54.51 167.0 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 0.763 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.683 ' C ' HG23 ' A' ' 103' ' ' VAL . 23.2 mt-10 -118.29 90.1 3.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.524 HG23 ' O ' ' A' ' 102' ' ' VAL . 0.9 OUTLIER -74.53 137.19 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.764 ' O ' HG22 ' A' ' 76' ' ' VAL . 65.0 mtp -110.03 -40.44 4.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 1.07 ' HB3' ' CG1' ' A' ' 102' ' ' VAL . . . -126.96 171.92 10.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.584 HD12 HG11 ' A' ' 76' ' ' VAL . 74.6 mt -146.21 107.24 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.655 HD22 ' HB1' ' A' ' 91' ' ' ALA . 6.0 t-20 42.52 32.27 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.483 ' O ' ' CG ' ' A' ' 74' ' ' LYS . . . 90.65 73.58 1.27 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.554 1.159 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.908 ' O ' HG13 ' A' ' 76' ' ' VAL . 0.7 OUTLIER -173.77 102.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.26 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.652 HG23 HG23 ' A' ' 77' ' ' THR . 22.0 mm -51.14 117.56 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.908 HG13 ' O ' ' A' ' 74' ' ' LYS . 8.8 m -121.5 22.38 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.652 HG23 HG23 ' A' ' 75' ' ' ILE . 55.8 p -51.68 -57.8 8.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.426 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -115.6 40.49 2.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.539 ' CG ' ' HA ' ' A' ' 76' ' ' VAL . 0.3 OUTLIER -85.29 177.99 7.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.432 HG22 ' CA ' ' A' ' 38' ' ' VAL . 2.3 p -115.0 152.56 32.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.415 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.933 HD21 ' HA ' ' A' ' 35' ' ' GLU . 4.4 mt -40.73 -63.14 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -43.93 -65.88 0.45 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -39.13 -69.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.287 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -51.92 -65.76 0.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 81' ' ' LEU . 5.4 mt-10 -37.1 -58.65 0.78 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.05 -63.55 1.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.56 -63.57 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.709 HD21 HD23 ' A' ' 32' ' ' LEU . 59.4 tp -44.48 -57.53 3.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 90' ' ' LYS . 57.3 mm-40 -51.43 -60.11 3.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 89' ' ' GLN . 0.9 OUTLIER -39.59 -52.82 2.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.655 ' HB1' HD22 ' A' ' 72' ' ' ASN . . . -47.12 -72.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.695 ' CZ3' HG21 ' A' ' 99' ' ' ILE . 5.3 t-105 -49.46 -49.1 46.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 108.018 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 94' ' ' GLN . 6.1 m-20 -44.51 -49.15 10.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 93' ' ' ASN . 21.5 mt-30 -35.78 -56.58 0.69 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 108.68 43.96 1.18 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.405 ' CA ' ' HD3' ' A' ' 26' ' ' LYS . . . -77.91 -174.27 42.28 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -90.32 -43.88 10.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 0.734 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -142.23 174.06 10.95 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.695 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 5.3 tt -143.64 133.07 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.591 ' HB3' HD11 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -88.94 126.53 35.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.732 HD12 HD12 ' A' ' 24' ' ' ILE . 39.8 mt -114.32 122.88 48.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 1.07 ' CG1' ' HB3' ' A' ' 70' ' ' ALA . 0.2 OUTLIER -108.66 124.33 65.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.861 HG21 ' HB2' ' A' ' 66' ' ' ASP . 0.8 OUTLIER -153.98 144.57 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.451 ' O ' HG22 ' A' ' 103' ' ' VAL . . . -70.52 169.56 13.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.549 HG23 ' HG3' ' A' ' 20' ' ' ARG . 38.8 t -84.24 155.78 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -161.32 115.34 1.29 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 108.29 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 173.12 15.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.442 1.759 . . . . 0.0 110.941 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 108.73 2.79 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.486 1.782 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 110' ' ' GLU . 40.2 pttt -167.25 -47.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 109' ' ' LYS . 3.7 tp10 63.73 115.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -114.6 126.22 54.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 177.82 104.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.3 t70 178.12 148.29 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -147.59 84.15 1.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.281 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.432 HD23 ' H ' ' A' ' 117' ' ' PHE . 0.2 OUTLIER 67.86 122.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.9 t -66.11 -12.17 53.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.372 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.432 ' H ' HD23 ' A' ' 115' ' ' LEU . 2.6 m-85 50.23 75.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 111.019 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.993 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 t -166.11 87.95 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 0.738 . . . . 0.0 110.078 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.44 162.11 28.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.12 82.41 0.35 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.543 1.152 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 40.5 69.86 0.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.483 ' HB1' HD12 ' A' ' 14' ' ' ILE . . . -131.31 44.09 2.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.2 p -122.35 -41.65 2.39 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.543 1.152 . . . . 0.0 110.416 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -52.02 -52.45 50.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -73.98 157.75 35.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.72 158.44 74.64 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.988 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -18.23 18.88 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.537 1.809 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.22 15.33 26.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.337 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -115.62 -51.8 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.483 HD12 ' HB1' ' A' ' 6' ' ' ALA . 2.3 pt -69.66 -43.36 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.56 125.59 13.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.93 -49.14 1.04 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -67.27 -177.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.754 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -133.63 85.96 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.328 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.2 t -90.29 132.48 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.493 ' HG3' HG23 ' A' ' 105' ' ' VAL . 4.3 mtp180 -125.04 121.04 33.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 22' ' ' LEU . 9.6 tp -85.87 122.65 30.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.453 ' N ' HD12 ' A' ' 21' ' ' LEU . 13.6 mt -116.2 117.13 29.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.565 ' HD2' ' CE3' ' A' ' 98' ' ' TRP . 0.0 OUTLIER -93.94 120.04 33.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.656 HD12 HD12 ' A' ' 101' ' ' LEU . 85.0 mt -102.62 143.07 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.6 tttm -88.7 145.59 25.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.602 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 0.4 OUTLIER -88.13 92.15 9.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -132.33 125.86 31.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.51 -69.44 0.71 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 m -179.36 170.15 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 109.944 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.514 HD21 HD21 ' A' ' 88' ' ' LEU . 55.5 tp -78.54 -74.59 0.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 60.4 73.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 tp -137.27 131.1 31.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.56 142.28 27.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.521 HD23 ' HA ' ' A' ' 47' ' ' VAL . 28.1 mt -127.62 155.93 43.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.351 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.767 ' HA ' HD21 ' A' ' 81' ' ' LEU . 11.8 pt-20 -151.73 157.05 41.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.484 ' CA ' HG11 ' A' ' 42' ' ' VAL . . . 100.39 -150.0 18.77 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.137 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.733 ' O ' HG12 ' A' ' 38' ' ' VAL . . . 65.17 177.59 6.36 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.849 HG22 ' H ' ' A' ' 39' ' ' ASP . 3.6 p 50.38 -161.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 0.736 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.849 ' H ' HG22 ' A' ' 38' ' ' VAL . 0.8 OUTLIER -69.83 57.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.465 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 43.1 p -98.03 161.25 26.19 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.012 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.465 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.5 Cg_endo -74.93 -1.3 11.02 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.465 1.771 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.808 HG22 ' HG3' ' A' ' 44' ' ' LYS . 1.5 p -94.03 -43.39 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.71 -9.54 76.8 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.528 1.143 . . . . 0.0 110.97 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.808 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -143.95 -175.57 4.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 76.2 t -100.57 140.96 18.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.549 HG12 ' NZ ' ' A' ' 44' ' ' LYS . 10.4 m -146.39 133.82 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.077 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.521 ' HA ' HD23 ' A' ' 34' ' ' LEU . 77.8 t -58.72 124.97 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.504 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 34.3 t -79.38 -48.41 14.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -168.83 136.21 1.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.618 HG23 ' HB3' ' A' ' 56' ' ' ALA . 2.5 p -105.42 95.33 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.421 ' C ' ' O ' ' A' ' 50' ' ' VAL . 7.9 m-30 -35.78 126.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -76.23 108.27 9.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 136.74 -31.56 2.55 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.469 1.105 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -58.81 -156.92 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.488 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -91.39 -33.17 15.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.618 ' HB3' HG23 ' A' ' 50' ' ' VAL . . . -59.7 -53.93 52.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.352 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -48.34 80.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -46.82 -42.08 16.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -54.19 -53.43 53.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.617 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.03 76.33 0.47 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.111 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -132.82 -66.59 0.08 OUTLIER Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.656 HG11 ' CG ' ' A' ' 66' ' ' ASP . 38.4 t -129.96 156.78 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 0.782 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.2 m -102.83 179.39 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.085 . . . . 0.0 109.265 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.504 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -55.86 160.44 2.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 66' ' ' ASP . . . 95.17 -24.5 28.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.656 ' CG ' HG11 ' A' ' 62' ' ' VAL . 6.3 t0 -39.89 156.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.483 ' HB2' ' HB3' ' A' ' 104' ' ' ALA . 6.2 mt-10 -93.74 97.86 10.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.3 mm -78.49 160.07 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.54 ' O ' HG22 ' A' ' 76' ' ' VAL . 13.1 mtm -155.9 -52.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.614 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -130.54 141.32 50.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.812 HD13 ' HB2' ' A' ' 88' ' ' LEU . 51.6 mt -118.09 110.06 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.776 HD22 ' HB1' ' A' ' 91' ' ' ALA . 1.2 m-20 55.64 27.65 10.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 109.52 -53.32 0.59 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.99 122.72 7.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.779 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.706 HG23 HG23 ' A' ' 77' ' ' THR . 21.7 mt -70.67 132.39 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.54 HG22 ' O ' ' A' ' 69' ' ' MET . 18.5 m -122.04 22.7 4.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.706 HG23 HG23 ' A' ' 75' ' ' ILE . 13.0 p -51.4 -84.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.383 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -89.28 42.89 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.556 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -95.62 153.94 17.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.991 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.504 HG22 HG23 ' A' ' 38' ' ' VAL . 3.6 p -90.97 152.71 20.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.399 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.767 HD21 ' HA ' ' A' ' 35' ' ' GLU . 2.9 mt -39.86 -64.85 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.75 -50.98 9.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.556 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -48.77 -69.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -56.94 -64.31 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 84' ' ' ALA . 5.3 mt-10 -36.38 -54.96 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.07 -55.24 17.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -43.9 -65.49 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.812 ' HB2' HD13 ' A' ' 71' ' ' ILE . 15.3 tp -44.13 -54.84 5.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -49.45 -63.21 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -40.04 -59.59 1.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.776 ' HB1' HD22 ' A' ' 72' ' ' ASN . . . -43.41 -53.55 5.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.602 ' CZ2' ' HA ' ' A' ' 26' ' ' LYS . 22.4 t-105 -61.0 -51.73 68.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 108.005 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 94' ' ' GLN . 34.6 m-80 -49.37 -49.59 43.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 93' ' ' ASN . 11.1 mt-30 -38.39 -33.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 115.62 -91.9 0.57 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 50.87 175.8 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -97.29 -44.16 7.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.565 ' CE3' ' HD2' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -142.17 167.74 21.39 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.438 HG21 ' CE3' ' A' ' 92' ' ' TRP . 2.3 tt -129.31 136.63 59.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.449 ' OD1' HD11 ' A' ' 21' ' ' LEU . 1.1 m-20 -95.91 112.98 24.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.656 HD12 HD12 ' A' ' 24' ' ' ILE . 96.4 mt -102.35 117.72 35.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.614 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 98.6 t -85.53 98.55 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.37 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.57 HG11 ' CG ' ' A' ' 66' ' ' ASP . 1.3 t -126.71 154.97 37.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.483 ' HB3' ' HB2' ' A' ' 67' ' ' GLU . . . -105.14 163.96 12.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.493 HG23 ' HG3' ' A' ' 20' ' ' ARG . 76.1 t -84.35 152.7 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -144.61 135.03 12.0 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 108.334 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 18.2 Cg_endo -74.96 155.01 43.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.565 1.824 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.3 Cg_endo -75.05 131.82 14.66 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.79 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.6 pttm -164.81 -55.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 66.02 112.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -157.94 104.92 1.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.7 p-10 -136.7 170.32 16.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 178.25 -37.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 70.69 -59.48 0.53 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.745 ' O ' HD23 ' A' ' 115' ' ' LEU . 1.7 tt 66.04 46.13 2.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 18.2 p -142.3 119.05 11.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.4 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -37.7 -34.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 49.44 82.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.754 . . . . 0.0 110.0 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -102.25 143.86 31.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.34 -73.37 1.16 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.517 1.136 . . . . 0.0 110.974 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.537 ' O ' ' HB2' ' A' ' 6' ' ' ALA . . . -115.51 177.51 4.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . 173.59 -55.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.17 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 41.7 p -57.97 -55.73 31.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.383 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.428 ' O ' HD11 ' A' ' 75' ' ' ILE . 4.7 ttp -39.58 -46.57 1.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -86.03 -179.51 6.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.13 167.63 14.65 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.979 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -34.64 3.68 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.536 1.809 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -88.6 20.26 3.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -118.44 -57.02 2.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.276 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.495 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 2.5 pt -67.75 -53.12 33.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 52.41 -134.09 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.2 22.53 25.85 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.128 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' A' ' 14' ' ' ILE . 23.9 mtpp -73.23 148.28 43.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 0.737 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.89 89.43 3.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.483 HG11 ' HE1' ' A' ' 69' ' ' MET . 16.2 m -98.7 156.98 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.501 ' HG3' HG23 ' A' ' 105' ' ' VAL . 39.5 mtm180 -124.83 130.11 51.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.266 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.605 HD12 ' N ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -88.35 111.08 21.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.647 HD12 HG23 ' A' ' 62' ' ' VAL . 82.2 mt -105.35 155.03 19.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.73 122.99 37.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.935 HD12 HD12 ' A' ' 101' ' ' LEU . 6.4 mt -99.8 155.48 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.5 tttt -91.96 143.9 26.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.449 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 8.6 mttt -89.3 80.94 6.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -126.49 126.12 43.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 41.49 75.51 0.13 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 46.08 -169.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.771 . . . . 0.0 109.973 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.763 HD21 HD21 ' A' ' 88' ' ' LEU . 2.9 tp -116.44 -47.84 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 54.43 72.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.488 HD13 ' CB ' ' A' ' 56' ' ' ALA . 6.0 tp -126.97 151.87 47.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.421 ' O ' HD23 ' A' ' 34' ' ' LEU . . . -114.6 143.48 44.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.601 HD23 ' HA ' ' A' ' 47' ' ' VAL . 51.9 mt -128.16 159.71 34.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.814 ' CA ' HD21 ' A' ' 81' ' ' LEU . 10.7 pt-20 -155.98 165.37 36.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 37' ' ' GLY . . . 104.23 -124.58 8.09 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.456 1.098 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.457 ' C ' ' CG2' ' A' ' 38' ' ' VAL . . . 47.05 -175.44 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.664 HG13 HG22 ' A' ' 80' ' ' THR . 0.3 OUTLIER 41.68 -164.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 0.751 . . . . 0.0 109.292 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -70.29 56.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.456 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 67.8 p -89.76 160.22 41.73 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 110.024 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.456 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.3 Cg_endo -74.98 -2.13 12.14 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.78 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.922 HG12 ' HG3' ' A' ' 44' ' ' LYS . 54.8 t -93.66 -54.36 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.39 28.94 34.6 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.922 ' HG3' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -177.8 167.68 2.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 0.77 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.414 HG12 ' HB ' ' A' ' 68' ' ' ILE . 95.8 t -84.09 135.58 24.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.477 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 19.6 m -146.38 133.71 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.601 ' HA ' HD23 ' A' ' 34' ' ' LEU . 73.5 t -60.77 112.3 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.4 t -66.34 -48.0 71.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.985 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.6 147.26 6.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.867 HG23 ' HB3' ' A' ' 56' ' ' ALA . 1.5 p -112.7 92.24 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -45.99 119.92 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 111.021 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -49.43 -22.7 1.24 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.68 51.28 2.32 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -147.06 -169.25 14.44 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.6 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -91.42 -38.94 12.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 0.804 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.867 ' HB3' HG23 ' A' ' 50' ' ' VAL . . . -47.32 -47.61 25.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -56.14 -54.81 40.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.2 mtt-85 -50.34 -38.81 43.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.509 ' CE1' ' HA3' ' A' ' 61' ' ' GLY . 15.2 t-80 -62.09 -64.34 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.615 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.08 -43.52 3.06 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.509 ' HA3' ' CE1' ' A' ' 59' ' ' HIS . . . -37.83 -48.2 1.87 Allowed Glycine 0 CA--C 1.531 1.043 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.736 HG22 ' OD2' ' A' ' 66' ' ' ASP . 3.3 t -112.57 141.59 27.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 0.78 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.4 m -137.47 -162.76 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -76.38 143.35 40.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.27 -29.41 11.41 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.924 ' HB3' HG11 ' A' ' 103' ' ' VAL . 0.7 OUTLIER -40.83 141.89 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 0.801 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.837 ' C ' HG13 ' A' ' 103' ' ' VAL . 4.1 mt-10 -87.01 86.69 7.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.663 HD13 HG22 ' A' ' 103' ' ' VAL . 22.7 mm -63.45 148.48 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.715 ' O ' HG22 ' A' ' 76' ' ' VAL . 22.0 mtm -144.39 -47.02 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.418 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -131.11 155.13 47.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.746 HD13 ' HB2' ' A' ' 88' ' ' LEU . 40.3 mt -131.82 107.47 13.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.693 HD22 ' HB1' ' A' ' 91' ' ' ALA . 2.0 t-20 59.25 24.19 12.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 112.18 -55.87 0.49 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.22 121.77 3.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.77 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.639 HG23 HG23 ' A' ' 77' ' ' THR . 17.2 mt -68.56 130.79 33.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.715 HG22 ' O ' ' A' ' 69' ' ' MET . 13.7 m -123.38 23.41 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.639 HG23 HG23 ' A' ' 75' ' ' ILE . 25.0 p -55.76 -55.05 36.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 110.39 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.34 35.59 2.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.62 ' CD2' HG12 ' A' ' 76' ' ' VAL . 0.4 OUTLIER -94.22 146.72 23.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.664 HG22 HG13 ' A' ' 38' ' ' VAL . 1.1 p -88.96 155.09 19.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.422 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.814 HD21 ' CA ' ' A' ' 35' ' ' GLU . 9.8 mt -41.09 -63.89 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.88 -50.13 19.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.79 -69.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -56.56 -62.81 1.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 81' ' ' LEU . 7.3 mt-10 -37.78 -45.32 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -74.4 -58.33 3.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -42.38 -63.25 0.79 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.085 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.763 HD21 HD21 ' A' ' 30' ' ' LEU . 24.2 tp -43.69 -54.06 5.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -47.25 -65.54 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 89' ' ' GLN . 30.1 mttt -39.47 -62.21 0.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.693 ' HB1' HD22 ' A' ' 72' ' ' ASN . . . -40.96 -62.52 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.6 ' CH2' ' HB3' ' A' ' 55' ' ' ALA . 8.3 t-105 -54.05 -51.38 64.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 108.032 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 94' ' ' GLN . 5.7 m-80 -47.83 -52.68 18.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 93' ' ' ASN . 13.3 mt-30 -34.64 -52.65 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.415 ' O ' ' CD ' ' A' ' 26' ' ' LYS . . . 137.1 -102.79 0.4 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 58.84 174.57 0.57 Allowed Glycine 0 CA--C 1.529 0.969 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -97.95 -43.38 7.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 0.745 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -140.25 158.71 43.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 108.012 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.52 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 2.0 tt -117.41 159.06 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.617 ' O ' HD23 ' A' ' 101' ' ' LEU . 2.8 m-20 -112.54 137.26 51.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.935 HD12 HD12 ' A' ' 24' ' ' ILE . 39.3 mt -139.24 135.39 33.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.418 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 45.6 t -109.58 117.46 54.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.924 HG11 ' HB3' ' A' ' 66' ' ' ASP . 6.9 t -134.46 149.7 30.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.75 154.4 23.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.501 HG23 ' HG3' ' A' ' 20' ' ' ARG . 4.1 t -70.03 156.33 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -156.4 118.44 2.22 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 108.296 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.01 148.56 35.39 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.46 1.769 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.1 Cg_endo -75.02 172.2 16.83 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.489 1.783 . . . . 0.0 110.968 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt 70.71 -62.5 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 66.15 117.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -134.69 111.19 9.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.959 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -135.56 -53.65 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.05 168.7 10.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.103 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -142.04 86.52 1.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.331 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 116' ' ' THR . 1.3 pt? -131.57 -134.12 0.2 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 115' ' ' LEU . 2.7 p 37.48 84.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.361 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.95 -42.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 53.5 p90 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m 63.26 123.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.027 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 63.64 167.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.263 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.4 -151.92 8.99 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.751 ' HB1' ' HE1' ' A' ' 8' ' ' MET . . . -110.36 77.59 1.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 0.778 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -120.46 64.64 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.7 p -145.51 -53.64 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 110.397 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.751 ' HE1' ' HB1' ' A' ' 5' ' ' ALA . 16.9 mtm -42.7 -50.02 5.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.624 ' CZ ' ' SD ' ' A' ' 69' ' ' MET . 23.5 m-85 -66.83 -160.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.76 169.06 11.05 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -10.73 21.26 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.797 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.4 16.84 21.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 14' ' ' ILE . 8.2 tp60 -120.57 -49.91 2.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.402 ' N ' ' HG3' ' A' ' 13' ' ' GLN . 1.1 pt -73.76 -45.7 49.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -42.37 121.9 2.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.79 -50.19 0.98 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -69.92 172.55 7.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 109.235 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.91 86.31 2.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.363 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 62.5 t -80.14 142.5 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -135.96 130.31 33.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.498 HD12 ' N ' ' A' ' 22' ' ' LEU . 3.5 tp -91.46 114.59 27.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.498 ' N ' HD12 ' A' ' 21' ' ' LEU . 36.9 mt -111.76 103.99 12.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.439 ' CZ ' ' OD1' ' A' ' 100' ' ' ASP . 0.6 OUTLIER -83.73 117.74 23.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.32 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.964 HD12 ' CD1' ' A' ' 101' ' ' LEU . 11.9 mt -95.52 155.06 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -92.18 148.31 22.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.6 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 4.0 mttp -98.28 84.05 3.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.91 120.51 29.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.24 -67.05 3.36 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.444 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 3.3 m -177.38 -175.41 0.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.611 HD13 ' CZ3' ' A' ' 92' ' ' TRP . 58.4 tp -90.29 -79.2 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.425 ' HB3' ' CD2' ' A' ' 51' ' ' TYR . 0.8 OUTLIER 68.72 64.87 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.728 ' CD1' HG22 ' A' ' 50' ' ' VAL . 18.8 tp -131.32 130.6 42.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.35 152.83 20.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.247 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.598 HD23 ' HA ' ' A' ' 47' ' ' VAL . 72.1 mt -131.72 160.99 33.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.902 ' HA ' HD21 ' A' ' 81' ' ' LEU . 12.0 pt-20 -153.18 139.24 18.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.461 ' HA2' ' CB ' ' A' ' 40' ' ' SER . . . 93.42 -143.3 16.42 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.504 1.127 . . . . 0.0 110.979 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . 86.04 -71.8 2.79 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.827 HG23 HG22 ' A' ' 80' ' ' THR . 2.8 p -59.96 -149.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 0.77 . . . . 0.0 109.347 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.734 ' N ' HG13 ' A' ' 38' ' ' VAL . 53.3 p-10 -79.86 51.29 1.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.536 ' CB ' ' CD ' ' A' ' 41' ' ' PRO . 0.7 OUTLIER -89.88 179.9 1.4 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.995 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.536 ' CD ' ' CB ' ' A' ' 40' ' ' SER . 18.4 Cg_endo -74.98 -4.6 15.64 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.529 1.805 . . . . 0.0 111.044 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.717 HG12 ' HG3' ' A' ' 44' ' ' LYS . 7.8 t -101.28 -58.79 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.66 12.1 64.96 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.717 ' HG3' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -145.59 174.22 11.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 0.798 . . . . 0.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.9 t -99.26 114.61 37.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.44 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 21.9 m -127.37 135.19 64.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.598 ' HA ' HD23 ' A' ' 34' ' ' LEU . 23.5 t -57.79 115.69 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.508 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 6.2 t -67.73 -45.03 76.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.022 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.67 146.97 5.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.728 HG22 ' CD1' ' A' ' 32' ' ' LEU . 25.4 t -110.0 90.26 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.425 ' CD2' ' HB3' ' A' ' 31' ' ' ASP . 4.1 m-30 -40.11 124.04 1.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 16.1 pt-20 -78.87 53.32 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.363 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -157.5 -39.44 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.35 -161.35 0.48 Allowed Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.612 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -86.05 -34.39 20.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 0.768 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -44.88 -59.76 2.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -52.23 -53.37 44.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.263 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -39.3 -57.75 1.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.462 ' CG ' HG12 ' A' ' 24' ' ' ILE . 9.4 t-80 -41.81 -50.22 4.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.597 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.83 66.21 2.7 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -138.06 -80.46 0.08 OUTLIER Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.447 HG22 ' HB3' ' A' ' 66' ' ' ASP . 9.9 p -87.25 140.72 15.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.483 0.755 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.0 m -114.73 -173.5 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.508 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.4 OUTLIER -70.2 143.69 52.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.16 -3.57 62.04 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.447 ' HB3' HG22 ' A' ' 62' ' ' VAL . 41.2 p-10 -56.75 -165.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 0.766 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -134.45 77.41 1.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.404 HD11 ' OD2' ' A' ' 66' ' ' ASP . 1.6 mm -70.8 109.44 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.698 ' HG2' HG12 ' A' ' 102' ' ' VAL . 6.2 ptm -95.31 -34.75 12.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.965 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.725 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -137.59 175.73 9.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 1.036 HD12 HG11 ' A' ' 76' ' ' VAL . 83.4 mt -144.28 107.34 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.603 HD22 ' HB1' ' A' ' 91' ' ' ALA . 1.3 t-20 53.1 22.75 2.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.404 ' O ' ' SD ' ' A' ' 8' ' ' MET . . . 114.37 -59.45 0.4 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.434 ' O ' HG13 ' A' ' 76' ' ' VAL . 6.5 mttp -45.2 112.58 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 0.733 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.829 HG23 HG23 ' A' ' 77' ' ' THR . 32.9 mt -60.68 133.22 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.036 HG11 HD12 ' A' ' 71' ' ' ILE . 14.5 m -123.81 23.08 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.829 HG23 HG23 ' A' ' 75' ' ' ILE . 81.3 p -65.27 -21.31 66.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.417 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.5 p30 -132.89 28.92 4.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.524 ' CD2' HG12 ' A' ' 76' ' ' VAL . 0.7 OUTLIER -95.56 141.71 28.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.105 . . . . 0.0 110.948 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.827 HG22 HG23 ' A' ' 38' ' ' VAL . 5.3 p -85.11 156.94 20.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 110.389 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.902 HD21 ' HA ' ' A' ' 35' ' ' GLU . 4.3 mt -39.64 -63.63 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.28 -59.15 3.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.095 . . . . 0.0 109.323 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -43.06 -68.22 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.333 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -54.59 -65.12 0.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 84' ' ' ALA . 6.9 mt-10 -37.37 -46.88 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.02 -57.53 4.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 88' ' ' LEU . . . -42.58 -65.81 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.467 ' HG ' ' CD2' ' A' ' 30' ' ' LEU . 10.9 tp -40.38 -58.43 1.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' TRP . 11.7 mm100 -49.32 -58.39 5.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -40.23 -57.38 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.603 ' HB1' HD22 ' A' ' 72' ' ' ASN . . . -47.84 -43.19 27.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.612 ' CH2' ' HB3' ' A' ' 55' ' ' ALA . 10.3 t-105 -69.07 -46.18 68.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 108.007 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 94' ' ' GLN . 5.2 m-80 -56.99 -44.84 83.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 93' ' ' ASN . 20.5 mt-30 -37.85 -59.8 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.401 ' O ' ' HD3' ' A' ' 26' ' ' LYS . . . 143.33 -104.56 0.35 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 54.83 171.94 0.07 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.543 ' HB3' ' CD2' ' A' ' 98' ' ' TRP . 0.8 OUTLIER -90.19 -43.94 10.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.755 . . . . 0.0 109.309 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.543 ' CD2' ' HB3' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -136.52 175.32 9.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 107.975 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.45 ' HB ' ' NZ ' ' A' ' 26' ' ' LYS . 5.3 tt -130.58 154.94 41.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.439 ' OD1' ' CZ ' ' A' ' 23' ' ' ARG . 13.1 m-20 -110.63 133.42 53.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.964 ' CD1' HD12 ' A' ' 24' ' ' ILE . 12.1 mt -126.3 133.58 51.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.725 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 78.8 t -106.91 120.64 58.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -151.07 148.07 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.57 174.5 5.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.8 t -69.23 157.02 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . 0.569 ' CB ' ' HD3' ' A' ' 107' ' ' PRO . 0.1 OUTLIER -174.15 -61.52 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 108.353 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.569 ' HD3' ' CB ' ' A' ' 106' ' ' CYS . 18.3 Cg_endo -74.99 144.95 30.87 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.439 1.758 . . . . 0.0 110.978 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 107' ' ' PRO . 18.4 Cg_endo -74.98 178.55 7.11 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.87 -38.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -134.61 -140.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.33 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.404 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 0.1 OUTLIER 57.18 178.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 111.04 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.404 ' CB ' ' O ' ' A' ' 111' ' ' TYR . 2.0 t0 75.87 -67.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -122.63 119.96 32.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -108.1 40.01 1.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.402 ' O ' ' HB ' ' A' ' 116' ' ' THR . 1.1 tp -92.51 -12.2 32.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 115' ' ' LEU . 11.4 t -175.1 142.39 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.376 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -42.74 -40.84 2.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.493 ' CG ' ' O ' ' A' ' 118' ' ' PHE . 10.2 p90 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.1 t -167.06 157.08 11.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 0.777 . . . . 0.0 110.036 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -136.54 -72.37 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.344 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.57 152.56 9.29 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.469 1.106 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.25 74.37 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.769 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -112.04 0.5 15.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.0 p -92.49 11.14 27.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.39 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.21 -30.56 7.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -98.89 131.87 44.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.1 160.65 0.65 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.033 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -19.49 17.9 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.516 1.798 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -98.94 14.73 28.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 -112.42 -55.26 2.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.6 pt -65.06 -56.33 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 40.55 77.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.26 -42.19 3.13 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -40.37 107.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -83.17 101.9 11.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.516 ' CG1' ' CG1' ' A' ' 102' ' ' VAL . 99.6 t -78.56 134.29 28.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.49 ' HG3' HG23 ' A' ' 105' ' ' VAL . 1.3 mtt180 -126.19 123.66 38.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.2 tp -92.19 103.7 16.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.662 ' CD1' HG23 ' A' ' 62' ' ' VAL . 58.8 mt -94.95 137.26 34.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.568 ' CZ ' ' CE3' ' A' ' 98' ' ' TRP . 0.0 OUTLIER -106.36 116.94 32.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.893 HD12 ' CD1' ' A' ' 101' ' ' LEU . 50.7 mt -100.61 152.66 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 ttmm -81.46 139.03 35.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.58 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 9.9 mttt -89.91 82.2 6.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.924 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 2.0 tp10 -129.91 135.58 48.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 43.47 63.46 2.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.503 ' O ' ' CZ2' ' A' ' 92' ' ' TRP . 0.2 OUTLIER 53.26 -161.01 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.759 . . . . 0.0 109.993 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.767 HD13 ' CZ3' ' A' ' 92' ' ' TRP . 45.5 tp -100.46 -69.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 70.0 74.44 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.909 ' CD1' HG22 ' A' ' 50' ' ' VAL . 4.2 tp -147.06 136.29 22.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.411 ' O ' HD23 ' A' ' 34' ' ' LEU . . . -94.86 146.06 24.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' ' 33' ' ' ALA . 28.7 mt -128.02 155.91 43.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.797 ' HA ' HD21 ' A' ' 81' ' ' LEU . 18.9 pt-20 -155.89 149.09 24.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.525 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . 106.04 -147.32 16.22 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . 67.39 -169.4 36.79 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.803 HG13 ' N ' ' A' ' 39' ' ' ASP . 1.5 p 36.53 -150.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.773 . . . . 0.0 109.263 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.803 ' N ' HG13 ' A' ' 38' ' ' VAL . 2.2 m-20 -77.57 54.79 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 82.4 p -91.44 160.0 37.81 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.986 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.2 Cg_endo -75.05 -1.82 11.74 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.78 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.901 HG22 ' HG3' ' A' ' 44' ' ' LYS . 2.4 p -94.34 -41.35 12.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.7 -0.01 89.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.901 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -150.12 170.45 18.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 38.3 t -88.62 138.22 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.509 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 12.1 m -146.57 134.45 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.716 ' CG1' HD11 ' A' ' 32' ' ' LEU . 63.6 t -63.46 120.02 9.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.441 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 21.7 t -69.25 -49.76 53.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.06 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.56 150.39 7.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.251 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.909 HG22 ' CD1' ' A' ' 32' ' ' LEU . 78.3 t -108.8 99.73 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -49.51 108.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -47.36 -25.15 0.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.49 65.1 1.83 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -165.97 -175.95 36.86 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.924 ' HB2' ' O ' ' A' ' 27' ' ' GLU . . . -82.78 -29.39 29.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 0.756 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.27 -51.62 63.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 58' ' ' ARG . 7.9 tm-20 -56.82 -53.35 58.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 57' ' ' GLU . 6.8 mtp85 -37.21 -52.27 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.273 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.453 ' CG ' HG12 ' A' ' 24' ' ' ILE . 22.8 t-80 -56.07 -64.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.571 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.09 -34.36 4.31 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.1 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -40.2 -62.8 1.45 Allowed Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.666 HG22 ' OD2' ' A' ' 66' ' ' ASP . 3.0 t -89.9 137.52 21.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.1 m -127.18 -156.74 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.441 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.1 OUTLIER -88.06 135.26 33.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.57 -23.4 32.93 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.914 ' HB3' HG11 ' A' ' 103' ' ' VAL . 0.5 OUTLIER -41.75 136.15 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 0.733 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.753 ' C ' HG13 ' A' ' 103' ' ' VAL . 12.7 tt0 -78.31 96.78 5.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 110.238 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.696 HD13 HG22 ' A' ' 103' ' ' VAL . 12.0 mm -78.58 140.04 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.66 ' O ' HG22 ' A' ' 76' ' ' VAL . 38.5 mtm -143.04 -48.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.653 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -126.49 142.29 51.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.834 HD13 ' HB2' ' A' ' 88' ' ' LEU . 93.1 mt -127.48 115.38 39.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.507 ' ND2' ' HB1' ' A' ' 91' ' ' ALA . 3.1 m120 59.93 16.22 5.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.252 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 109.95 -33.03 6.26 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.44 1.088 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -59.39 138.78 57.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.769 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.759 HG23 HG23 ' A' ' 77' ' ' THR . 19.7 mm -79.88 118.94 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 69' ' ' MET . 14.5 m -123.76 23.05 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.759 HG23 HG23 ' A' ' 75' ' ' ILE . 70.4 p -56.3 -58.84 6.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -105.16 42.08 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.534 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -94.77 144.87 25.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.608 HG22 HG23 ' A' ' 38' ' ' VAL . 3.1 p -83.46 156.19 23.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.405 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.797 HD21 ' HA ' ' A' ' 35' ' ' GLU . 3.0 mt -39.54 -63.17 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.29 -65.13 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.534 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 11.3 mt-10 -39.35 -69.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.23 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -51.66 -65.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 84' ' ' ALA . 5.9 mt-10 -36.89 -58.31 0.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 87' ' ' ALA . . . -61.18 -64.83 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 86' ' ' ALA . . . -39.57 -65.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.834 ' HB2' HD13 ' A' ' 71' ' ' ILE . 14.8 tp -40.52 -53.37 2.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 92' ' ' TRP . 13.0 mm100 -58.66 -58.89 6.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -39.84 -54.53 2.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.507 ' HB1' ' ND2' ' A' ' 72' ' ' ASN . . . -49.68 -45.47 48.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.873 ' CZ3' HG21 ' A' ' 99' ' ' ILE . 8.2 t-105 -68.46 -48.69 63.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 108.004 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 94' ' ' GLN . 3.2 m-80 -45.75 -41.43 10.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 93' ' ' ASN . 30.8 mt-30 -35.91 -47.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.46 104.07 1.23 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.465 ' CA ' ' HD3' ' A' ' 26' ' ' LYS . . . -147.58 -162.87 10.29 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -95.98 -43.83 7.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.568 ' CE3' ' CZ ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -142.14 145.62 34.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 107.997 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.873 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 8.3 tt -110.7 152.72 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -100.28 138.66 37.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.893 ' CD1' HD12 ' A' ' 24' ' ' ILE . 11.0 mt -142.82 118.23 10.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.653 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 94.7 t -95.76 129.76 45.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.914 HG11 ' HB3' ' A' ' 66' ' ' ASP . 43.0 t -150.25 147.7 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.642 ' HB3' ' HB3' ' A' ' 67' ' ' GLU . . . -85.5 151.32 24.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.49 HG23 ' HG3' ' A' ' 20' ' ' ARG . 31.1 t -71.94 152.22 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.8 t -142.0 121.02 7.84 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 108.316 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 171.95 17.33 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.495 1.787 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 118.92 5.41 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.515 1.797 . . . . 0.0 110.969 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.94 -48.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 38.95 51.43 1.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -112.83 140.47 47.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 111.042 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -79.29 146.44 32.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 33.0 p-10 179.55 115.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -110.83 -29.5 7.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.616 HD23 ' H ' ' A' ' 116' ' ' THR . 0.2 OUTLIER -141.24 -140.74 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.165 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.616 ' H ' HD23 ' A' ' 115' ' ' LEU . 2.2 t -156.67 -45.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 110.409 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.609 ' H ' HD23 ' A' ' 115' ' ' LEU . 5.3 m-85 -66.7 -64.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.32 -59.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.975 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.49 118.15 13.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.283 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.44 139.97 3.98 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.56 -62.38 1.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 0.0 109.26 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -47.94 -56.95 6.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.6 p -39.38 -55.74 1.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -40.88 -42.06 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -93.14 176.41 6.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.72 157.51 46.41 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.941 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -12.93 21.47 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.533 1.807 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -105.98 14.57 27.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -116.55 -53.98 2.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.281 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.2 pt -66.32 -35.34 74.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.14 124.37 7.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.88 -37.78 3.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -69.67 169.55 12.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.787 . . . . 0.0 109.299 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.416 ' O ' ' HA ' ' A' ' 104' ' ' ALA . 25.1 m-20 -126.02 90.97 3.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -112.42 122.39 66.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.408 ' HG3' HG23 ' A' ' 105' ' ' VAL . 0.5 OUTLIER -115.34 159.44 21.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.862 HD11 ' CG ' ' A' ' 100' ' ' ASP . 16.7 tp -120.23 105.78 11.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 mt -102.07 132.71 47.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.461 ' HD3' ' CB ' ' A' ' 98' ' ' TRP . 0.3 OUTLIER -98.01 101.91 13.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.294 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.7 ' CD1' HD12 ' A' ' 101' ' ' LEU . 10.6 mt -85.49 155.12 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -96.01 141.44 29.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.422 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 22.7 mttt -88.64 74.69 8.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -125.36 149.64 47.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 110.302 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.05 -80.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 27' ' ' GLU . 3.4 m 179.67 161.44 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 0.733 . . . . 0.0 110.024 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.691 HD21 HD11 ' A' ' 88' ' ' LEU . 39.2 tp -73.11 -77.84 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 68.36 59.34 0.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.504 HD23 HD21 ' A' ' 88' ' ' LEU . 9.1 tp -124.43 128.68 49.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.427 ' O ' HD23 ' A' ' 34' ' ' LEU . . . -93.1 151.82 19.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 47' ' ' VAL . 23.5 mt -131.3 156.66 45.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.858 ' HA ' HD21 ' A' ' 81' ' ' LEU . 12.5 pt-20 -153.57 161.78 41.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 110.326 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.695 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . 93.05 -130.8 10.49 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.655 ' O ' HG12 ' A' ' 38' ' ' VAL . . . 52.49 174.55 0.04 OUTLIER Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.714 HG13 ' N ' ' A' ' 39' ' ' ASP . 2.0 p 48.31 -154.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 0.729 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.714 ' N ' HG13 ' A' ' 38' ' ' VAL . 4.5 t0 -70.13 56.55 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.54 ' HB2' HG12 ' A' ' 42' ' ' VAL . 13.0 p -96.41 159.93 30.78 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.013 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.2 Cg_endo -75.03 -3.87 14.56 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.868 HG22 ' HG3' ' A' ' 44' ' ' LYS . 1.6 p -91.1 -38.71 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.02 -0.81 86.71 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.488 1.118 . . . . 0.0 111.039 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.868 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -149.88 -175.22 4.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 109.294 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.5 t -98.63 138.02 24.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.485 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 4.9 m -146.41 132.46 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.466 ' CG1' HD11 ' A' ' 32' ' ' LEU . 69.1 t -59.51 119.92 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.0 t -70.66 -49.83 43.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.028 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -167.25 148.12 5.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.329 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.62 HG23 ' HB3' ' A' ' 56' ' ' ALA . 3.9 p -122.04 89.73 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -45.3 114.98 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 111.043 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -46.91 -25.16 0.72 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.88 44.01 3.28 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -134.82 -171.02 12.35 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.559 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -90.83 -26.15 19.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 0.797 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.62 ' HB3' HG23 ' A' ' 50' ' ' VAL . . . -59.02 -51.78 68.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.432 1.083 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -64.54 -44.77 89.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -47.34 -31.06 3.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.123 . . . . 0.0 110.29 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.516 ' CD2' ' HA ' ' A' ' 24' ' ' ILE . 56.4 t-80 -79.06 -60.38 2.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.596 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.74 136.2 7.05 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 125.13 -46.0 1.12 Allowed Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.405 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 1.5 p -99.8 119.83 48.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.47 HG23 ' N ' ' A' ' 64' ' ' LYS . 4.5 m -127.86 -157.62 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.47 ' N ' HG23 ' A' ' 63' ' ' VAL . 3.5 ttpt -82.21 149.55 27.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.097 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.1 -15.11 60.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.835 ' HB3' HG21 ' A' ' 103' ' ' VAL . 0.6 OUTLIER -47.31 169.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 0.786 . . . . 0.0 109.326 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.811 ' C ' HG23 ' A' ' 103' ' ' VAL . 46.6 mt-10 -114.72 75.6 0.94 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.7 mm -62.23 134.98 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.58 ' O ' HG22 ' A' ' 76' ' ' VAL . 26.7 mtm -130.83 -43.67 1.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.791 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -136.66 130.28 31.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.832 HD12 HG11 ' A' ' 76' ' ' VAL . 7.8 mt -112.27 107.29 22.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 71' ' ' ILE . 4.2 t-20 81.04 -55.68 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 170.11 40.09 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.716 ' O ' HG13 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -139.83 112.31 7.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 0.767 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.529 HG23 HG23 ' A' ' 77' ' ' THR . 4.7 mt -52.6 125.95 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.832 HG11 HD12 ' A' ' 71' ' ' ILE . 24.5 m -124.22 17.56 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.529 HG23 HG23 ' A' ' 75' ' ' ILE . 32.0 p -59.65 -40.21 86.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.6 37.62 3.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.457 ' CD2' HG12 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -101.6 158.03 16.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.599 HG22 HG23 ' A' ' 38' ' ' VAL . 6.0 p -96.74 156.59 16.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.401 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.858 HD21 ' HA ' ' A' ' 35' ' ' GLU . 5.0 mt -39.44 -63.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.52 -66.31 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.429 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 54.7 mt-10 -38.82 -69.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -51.42 -65.47 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 84' ' ' ALA . 7.8 mt-10 -36.81 -52.2 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.06 -61.05 2.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.42 -48.24 3.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.691 HD11 HD21 ' A' ' 30' ' ' LEU . 4.5 tp -57.32 -54.15 50.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 90' ' ' LYS . 15.4 mt-30 -57.6 -60.9 2.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.14 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 89' ' ' GLN . 4.6 mmtm -37.54 -39.64 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 88' ' ' LEU . . . -61.14 -67.28 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.621 ' CZ3' HD13 ' A' ' 30' ' ' LEU . 8.7 t-105 -54.54 -42.3 70.77 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.485 ' O ' ' C ' ' A' ' 94' ' ' GLN . 19.4 m-20 -49.51 -47.06 49.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.087 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.485 ' C ' ' O ' ' A' ' 93' ' ' ASN . 26.1 mt-30 -32.38 -58.72 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 98.63 60.39 0.89 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -99.25 -160.97 29.31 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.535 ' HB3' ' CD2' ' A' ' 98' ' ' TRP . 28.9 m-20 -98.41 -45.14 6.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.535 ' CD2' ' HB3' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -138.01 166.52 23.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 0.0 108.02 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.552 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 8.5 tt -136.53 165.47 28.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.862 ' CG ' HD11 ' A' ' 21' ' ' LEU . 2.6 m-20 -126.87 138.82 53.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.7 HD12 ' CD1' ' A' ' 24' ' ' ILE . 80.5 mt -131.2 112.94 13.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.791 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 53.8 t -90.66 103.32 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.835 HG21 ' HB3' ' A' ' 66' ' ' ASP . 2.0 p -140.4 141.17 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 18' ' ' ASP . . . -77.97 150.82 33.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.408 HG23 ' HG3' ' A' ' 20' ' ' ARG . 58.9 t -72.54 142.61 14.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 49.7 t -175.1 125.96 0.38 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 108.281 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 161.26 38.96 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.455 1.766 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 170.28 20.75 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.464 1.771 . . . . 0.0 110.98 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.85 -46.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 66.93 115.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.31 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -146.2 126.66 14.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -174.91 166.57 3.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -138.52 144.05 39.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -170.87 87.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.743 ' HG ' HG23 ' A' ' 116' ' ' THR . 0.9 OUTLIER -127.11 -133.82 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.743 HG23 ' HG ' ' A' ' 115' ' ' LEU . 75.4 p 37.97 65.89 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.38 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -160.91 -44.57 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 41.9 p90 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -63.26 142.88 58.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 179.8 -59.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.77 147.59 12.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.115 . . . . 0.0 111.031 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -96.4 126.05 41.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 0.759 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 8' ' ' MET . . . -123.13 -139.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 68.45 -60.64 0.42 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 110.39 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -55.36 -41.28 72.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -87.09 153.97 21.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.37 159.11 82.53 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -14.51 21.22 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.475 1.776 . . . . 0.0 111.019 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.45 11.12 32.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -111.68 -41.95 3.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 110.32 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.2 pt -81.27 -32.82 12.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.17 118.93 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.33 -45.82 2.41 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.459 1.099 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.6 mttm -62.57 148.67 45.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 0.772 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.629 ' HB3' HG12 ' A' ' 105' ' ' VAL . 5.2 m-20 -104.13 85.3 2.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.418 HG12 ' H ' ' A' ' 19' ' ' VAL . 0.7 OUTLIER -88.02 117.79 32.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.1 mtp85 -123.62 135.19 53.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.274 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.647 HD11 ' CG ' ' A' ' 100' ' ' ASP . 27.0 tp -95.98 133.42 40.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.566 HD12 HG23 ' A' ' 62' ' ' VAL . 31.9 mt -130.9 141.72 50.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.83 120.68 41.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.695 ' CD1' HD12 ' A' ' 101' ' ' LEU . 19.6 mt -103.49 152.46 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.41 143.91 25.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.577 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 13.1 mttt -89.14 79.71 7.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -130.85 125.1 32.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.12 -78.13 2.03 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.435 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 3.5 m 179.95 173.09 0.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 110.051 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.746 HD13 ' CE3' ' A' ' 92' ' ' TRP . 27.9 tp -87.88 -77.31 0.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 63.13 55.27 1.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.504 HD23 HD21 ' A' ' 88' ' ' LEU . 19.9 tp -117.12 130.91 56.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.148 . . . . 0.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.43 145.7 24.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 76.0 mt -129.62 159.72 35.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.967 ' HA ' HD21 ' A' ' 81' ' ' LEU . 11.3 pt-20 -155.53 155.57 33.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.548 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . 104.93 -136.42 13.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.419 1.074 . . . . 0.0 110.985 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.486 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . 59.48 -174.77 3.72 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.809 HG13 ' N ' ' A' ' 39' ' ' ASP . 0.5 OUTLIER 41.17 -157.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.748 . . . . 0.0 109.319 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.809 ' N ' HG13 ' A' ' 38' ' ' VAL . 11.7 t0 -70.83 57.99 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 54.7 p -95.44 160.43 30.57 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.96 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.2 Cg_endo -74.98 -4.73 15.84 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.476 1.777 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.923 HG22 ' HG3' ' A' ' 44' ' ' LYS . 2.4 p -89.46 -40.09 12.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.1 5.4 89.04 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.132 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.923 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -155.93 171.96 19.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.9 t -93.96 142.88 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.426 ' CG1' ' HD2' ' A' ' 44' ' ' LYS . 13.2 m -146.12 -167.09 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.4 t -106.22 135.65 43.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.408 ' HA ' ' OE1' ' A' ' 35' ' ' GLU . 29.6 t -94.14 -46.02 7.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.016 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.93 148.82 6.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.74 HG23 ' HB3' ' A' ' 56' ' ' ALA . 1.2 p -120.88 91.37 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.249 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -49.46 116.19 1.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -41.8 -30.75 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.337 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.91 54.75 4.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.499 1.124 . . . . 0.0 111.047 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -147.32 -165.59 11.91 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.608 ' CB ' ' CH2' ' A' ' 92' ' ' TRP . . . -90.72 -48.56 6.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.74 ' HB3' HG23 ' A' ' 50' ' ' VAL . . . -42.05 -45.69 3.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.401 ' C ' ' CD ' ' A' ' 57' ' ' GLU . 10.1 tm-20 -53.08 -56.59 15.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -43.09 -42.23 3.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.45 ' CE1' ' HB3' ' A' ' 22' ' ' LEU . 38.2 t-80 -61.88 -65.68 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.608 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.93 -52.79 1.43 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -44.11 -47.67 8.12 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.566 HG23 HD12 ' A' ' 22' ' ' LEU . 2.7 t -89.03 128.1 41.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.5 m -135.55 -168.31 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.09 153.5 38.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.06 40.17 96.83 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.663 ' HB3' HG21 ' A' ' 103' ' ' VAL . 0.5 OUTLIER -88.45 172.63 9.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 109.26 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.595 ' C ' HG23 ' A' ' 103' ' ' VAL . 0.3 OUTLIER -100.94 58.64 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.685 HD13 ' HB ' ' A' ' 103' ' ' VAL . 2.1 mm -62.12 142.86 15.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.812 ' O ' HG22 ' A' ' 76' ' ' VAL . 37.7 mtm -142.31 -45.69 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.601 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -131.23 145.38 51.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.854 HD13 ' HB2' ' A' ' 88' ' ' LEU . 40.6 mt -118.76 107.2 21.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 67.12 18.89 10.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 112.7 -42.98 1.81 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.564 1.165 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER -53.47 130.42 35.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 0.751 . . . . 0.0 109.297 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.523 HG23 HG23 ' A' ' 77' ' ' THR . 6.9 mt -75.11 126.2 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.812 HG22 ' O ' ' A' ' 69' ' ' MET . 12.1 m -123.58 15.71 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.523 HG23 HG23 ' A' ' 75' ' ' ILE . 33.4 p -60.1 -22.28 62.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -131.81 31.18 4.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.441 ' HB2' ' CA ' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -95.09 148.21 22.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.548 HG22 HG23 ' A' ' 38' ' ' VAL . 6.7 p -88.79 156.86 18.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.398 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.967 HD21 ' HA ' ' A' ' 35' ' ' GLU . 4.8 mt -40.13 -64.16 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.64 -59.49 3.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -43.76 -69.39 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 110.334 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -52.67 -65.39 0.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 84' ' ' ALA . 5.1 mt-10 -36.85 -50.1 0.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.321 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.2 -52.1 38.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.24 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -45.35 -68.93 0.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.854 ' HB2' HD13 ' A' ' 71' ' ' ILE . 35.1 tp -42.49 -62.76 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 90' ' ' LYS . 15.9 mm100 -47.52 -66.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 89' ' ' GLN . 2.1 mmtm -36.91 -42.07 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' A' ' 88' ' ' LEU . . . -59.77 -57.35 13.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.746 ' CE3' HD13 ' A' ' 30' ' ' LEU . 13.6 t-105 -60.56 -44.44 96.16 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 94' ' ' GLN . 2.8 m-80 -47.59 -44.08 26.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 93' ' ' ASN . 15.2 mt-30 -36.68 -51.75 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.59 22.98 8.6 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -59.62 -175.24 0.89 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -89.5 -43.83 10.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 0.78 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -142.27 168.43 19.75 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.526 HG21 ' CE3' ' A' ' 92' ' ' TRP . 4.5 tt -137.66 143.14 34.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.647 ' CG ' HD11 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -106.34 129.66 54.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.075 . . . . 0.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.695 HD12 ' CD1' ' A' ' 24' ' ' ILE . 56.2 mt -120.16 113.85 21.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.601 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 78.0 t -82.19 105.26 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.685 ' HB ' HD13 ' A' ' 68' ' ' ILE . 2.1 p -145.3 140.38 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.62 ' HB1' ' O ' ' A' ' 18' ' ' ASP . . . -85.04 148.63 26.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.629 HG12 ' HB3' ' A' ' 18' ' ' ASP . 10.3 p -77.84 147.66 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 27.5 t -132.08 131.57 22.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 108.285 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 155.5 43.1 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 111.027 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 109.63 2.97 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -137.31 -52.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 69.12 110.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 110.264 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -120.87 -177.58 3.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -103.46 -54.04 2.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 61.9 121.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -110.63 -42.05 4.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.407 HD23 ' H ' ' A' ' 116' ' ' THR . 0.6 OUTLIER -132.45 -98.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.408 ' O ' ' N ' ' A' ' 118' ' ' PHE . 2.2 t -176.28 139.34 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.42 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -64.94 76.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 111.058 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 116' ' ' THR . 2.5 m-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.4 m 58.38 83.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 0.732 . . . . 0.0 109.991 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -71.86 85.69 0.96 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.162 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.59 85.02 0.05 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.473 ' O ' ' HB2' ' A' ' 6' ' ' ALA . . . -64.57 135.91 56.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . 176.76 53.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.7 p -128.43 -48.25 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 0.0 110.434 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -49.67 -51.43 38.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.416 ' CZ ' ' HB2' ' A' ' 70' ' ' ALA . 58.6 m-85 -64.63 166.95 7.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.38 161.14 65.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -19.3 17.89 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.67 17.93 20.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 110.335 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -117.73 -54.09 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.4 pt -66.17 -40.63 87.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.17 125.08 8.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.06 -47.91 1.47 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.458 1.099 . . . . 0.0 110.974 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -66.51 -179.4 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.78 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -134.15 85.88 2.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 70.5 t -88.88 140.3 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.58 ' CZ ' HG21 ' A' ' 105' ' ' VAL . 0.7 OUTLIER -137.83 132.85 33.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.789 HD11 ' CG ' ' A' ' 100' ' ' ASP . 23.1 tp -98.1 122.17 40.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.5 mt -111.3 149.53 30.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.573 ' HD2' ' CE3' ' A' ' 98' ' ' TRP . 22.3 ttp180 -116.79 108.79 16.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.517 HG12 ' CG ' ' A' ' 59' ' ' HIS . 81.6 mt -100.81 138.39 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -74.06 142.95 45.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.566 1.166 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.582 ' HA ' ' CZ2' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -91.06 79.11 5.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 3.9 tp10 -135.67 137.51 41.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 52.3 66.61 2.52 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 p 44.33 -167.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 0.755 . . . . 0.0 109.978 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.771 HD21 HD21 ' A' ' 88' ' ' LEU . 42.7 tp -104.9 -63.01 1.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 60.13 81.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.613 ' CD1' HG22 ' A' ' 50' ' ' VAL . 15.4 tp -142.1 134.34 27.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.78 132.69 39.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.544 HD23 ' HA ' ' A' ' 47' ' ' VAL . 18.8 mt -121.22 156.49 32.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.808 ' HA ' HD21 ' A' ' 81' ' ' LEU . 19.4 pt-20 -156.49 144.03 19.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.536 ' HA3' HG11 ' A' ' 42' ' ' VAL . . . 114.12 -156.84 15.36 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.471 1.107 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.51 ' O ' ' CB ' ' A' ' 40' ' ' SER . . . 70.71 -168.36 49.52 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.795 HG13 ' N ' ' A' ' 39' ' ' ASP . 2.7 p 33.27 -146.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 0.725 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.795 ' N ' HG13 ' A' ' 38' ' ' VAL . 1.9 t0 -80.32 50.34 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 96.6 p -88.13 159.91 47.1 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.975 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.434 ' HD2' ' HB2' ' A' ' 40' ' ' SER . 18.3 Cg_endo -75.02 5.35 4.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.566 HG22 ' HG3' ' A' ' 44' ' ' LYS . 1.7 p -108.52 -49.23 7.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.357 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.07 1.78 66.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.566 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -145.95 178.05 8.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.2 t -100.0 121.71 51.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.2 m -132.72 135.31 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.544 ' HA ' HD23 ' A' ' 34' ' ' LEU . 43.7 t -57.51 129.24 19.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.493 ' O ' ' CD ' ' A' ' 64' ' ' LYS . 4.4 t -83.38 -44.21 15.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.038 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.59 147.52 6.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.31 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.613 HG22 ' CD1' ' A' ' 32' ' ' LEU . 38.6 t -105.86 90.19 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -47.21 108.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.457 ' HA ' ' CB ' ' A' ' 57' ' ' GLU . 4.8 pt-20 -50.78 -24.15 3.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.49 45.61 2.57 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -145.25 -165.31 11.16 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.526 ' HB3' ' CH2' ' A' ' 92' ' ' TRP . . . -91.31 -32.94 15.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 0.777 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.533 ' CB ' HD13 ' A' ' 32' ' ' LEU . . . -50.62 -58.19 6.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.457 ' CB ' ' HA ' ' A' ' 52' ' ' GLU . 5.9 tp10 -58.63 -45.44 89.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.349 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.19 -54.96 7.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.343 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.517 ' CG ' HG12 ' A' ' 24' ' ' ILE . 16.6 t-80 -48.04 -65.7 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.575 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.77 129.98 1.43 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.459 1.099 . . . . 0.0 111.034 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 163.7 -64.91 0.24 Allowed Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.3 p -122.38 143.73 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.567 0.804 . . . . 0.0 109.267 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.2 m -100.11 -169.19 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.493 ' CD ' ' O ' ' A' ' 48' ' ' SER . 0.2 OUTLIER -61.65 159.79 12.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.81 -18.17 57.98 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.851 ' HB2' HG21 ' A' ' 103' ' ' VAL . 10.3 p-10 -42.03 161.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.822 ' C ' HG23 ' A' ' 103' ' ' VAL . 1.8 mt-10 -104.06 79.47 1.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.477 HD11 ' OD2' ' A' ' 66' ' ' ASP . 2.8 mm -63.26 143.06 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.704 ' O ' HG22 ' A' ' 76' ' ' VAL . 8.6 mtm -143.25 -50.9 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.548 ' HB3' ' HB ' ' A' ' 102' ' ' VAL . . . -128.33 134.13 48.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.588 1.18 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.824 HG22 ' OD1' ' A' ' 72' ' ' ASN . 75.0 mt -106.16 107.66 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.824 ' OD1' HG22 ' A' ' 71' ' ' ILE . 1.8 m120 75.59 -52.83 0.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -168.62 -39.98 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.14 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.13 152.9 15.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.544 HG23 HG23 ' A' ' 77' ' ' THR . 4.4 mt -91.32 125.56 44.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.347 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.704 HG22 ' O ' ' A' ' 69' ' ' MET . 12.7 m -123.73 16.93 4.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.544 HG23 HG23 ' A' ' 75' ' ' ILE . 42.5 p -56.35 -37.69 70.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 110.393 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -119.1 36.67 4.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.528 ' CD2' ' HB3' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -96.05 155.17 16.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.981 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 81' ' ' LEU . 16.7 p -92.01 155.6 17.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.416 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.808 HD21 ' HA ' ' A' ' 35' ' ' GLU . 3.4 mt -39.64 -64.09 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.65 -62.95 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.346 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.528 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 13.5 mt-10 -40.21 -68.7 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 85' ' ' GLU . . . -53.61 -65.08 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 84' ' ' ALA . 4.7 mt-10 -36.92 -60.01 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 87' ' ' ALA . . . -60.65 -60.24 4.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 86' ' ' ALA . . . -39.46 -59.03 1.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.771 HD21 HD21 ' A' ' 30' ' ' LEU . 13.4 tp -47.98 -55.83 9.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 92' ' ' TRP . 3.3 mt-30 -48.29 -61.54 1.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 93' ' ' ASN . 31.1 mttt -39.87 -63.66 0.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.705 ' HB1' HD21 ' A' ' 72' ' ' ASN . . . -39.82 -41.39 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.582 ' CZ2' ' HA ' ' A' ' 26' ' ' LYS . 20.2 t-105 -70.65 -50.13 39.97 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 90' ' ' LYS . 19.0 m-80 -54.96 -44.14 74.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.243 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 93' ' ' ASN . 11.4 mt-30 -37.35 -36.76 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 96' ' ' GLY . . . 119.16 -95.74 0.62 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 95' ' ' GLY . . . 50.15 175.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -98.28 -44.67 6.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.573 ' CE3' ' HD2' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -142.22 141.06 32.5 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.549 HG21 ' CZ3' ' A' ' 92' ' ' TRP . 13.7 tt -96.25 161.92 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.152 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.789 ' CG ' HD11 ' A' ' 21' ' ' LEU . 3.1 m-20 -117.46 140.54 49.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.491 HD12 HD12 ' A' ' 24' ' ' ILE . 64.9 mt -128.8 121.69 28.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.548 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 41.7 t -102.19 98.39 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.851 HG21 ' HB2' ' A' ' 66' ' ' ASP . 1.4 p -136.38 147.35 27.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.42 ' O ' HG22 ' A' ' 103' ' ' VAL . . . -72.12 164.48 26.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.58 HG21 ' CZ ' ' A' ' 20' ' ' ARG . 88.7 t -82.73 145.1 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 42.6 t -175.76 116.48 0.29 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 108.282 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 165.5 31.09 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.494 1.786 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 111.75 3.4 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.465 1.771 . . . . 0.0 110.961 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 176.5 -36.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -87.1 43.55 1.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.468 ' CG ' ' O ' ' A' ' 111' ' ' TYR . 1.8 t80 -91.27 91.89 8.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -140.34 136.79 33.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.3 t0 177.67 -50.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 38.33 87.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.636 ' O ' HD23 ' A' ' 115' ' ' LEU . 0.6 OUTLIER -177.36 49.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.2 p -141.43 74.19 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.417 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -50.36 -27.43 6.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.974 179.995 . . . . . . . . 0 0 . 1 stop_ save_