data_1f2g_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 1f2g _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.515 HD13 ' CG1' ' A' ' 33' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.319 -0.623 . . . . 1.0 109.319 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 55' ' ' ILE . 3.3 mt-10 -135.19 142.88 46.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.334 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.425 ' O ' ' CG2' ' A' ' 4' ' ' VAL . 0.7 OUTLIER -103.89 15.68 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 60.3 -169.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -112.13 -28.35 8.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.356 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -60.16 -21.47 61.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.354 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.401 ' HB2' ' CB ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -55.78 157.99 3.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 108.348 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.435 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 5.4 mtt -108.64 -84.61 0.54 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 9' ' ' MET . . . 168.0 59.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.3 t -72.08 -29.82 64.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.143 . . . . 0.0 108.265 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 70.13 14.01 7.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.02 -49.26 59.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.4 ' O ' HG23 ' A' ' 17' ' ' ILE . 26.8 p -61.9 -31.58 71.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 108.304 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.5 t -75.44 -30.61 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.31 -10.04 59.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.475 ' CD1' ' HG3' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -103.06 -43.11 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 1.0 109.29 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -148.73 84.35 6.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 108.298 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.412 ' O ' ' CD1' ' A' ' 34' ' ' ILE . 18.2 Cg_endo -75.0 4.0 5.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.478 1.778 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.12 -10.79 22.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.403 ' C ' HG13 ' A' ' 34' ' ' ILE . 49.4 t -114.03 -34.1 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -136.34 121.08 18.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.485 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 4.8 tt0 -129.63 158.33 39.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.48 ' N ' ' CG ' ' A' ' 23' ' ' GLU . 0.4 OUTLIER -62.26 146.71 50.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.967 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.519 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 23.0 t30 -60.89 -144.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.519 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -81.52 -24.59 36.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.27 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -133.84 5.92 3.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.55 22.05 79.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -80.5 -4.77 55.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -167.85 148.6 5.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 1.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.415 ' N ' ' HG2' ' A' ' 30' ' ' LYS . . . -77.27 111.67 13.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -93.79 145.72 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.515 ' CG1' HD13 ' A' ' 2' ' ' ILE . 35.4 t -85.58 145.76 7.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.485 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -120.68 -33.54 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 1.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.488 ' C ' ' H ' ' A' ' 37' ' ' ASP . 2.9 t-20 -116.73 80.81 11.08 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.466 ' HA ' ' CD1' ' A' ' 2' ' ' ILE . 18.2 Cg_endo -75.0 35.09 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.461 1.769 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.488 ' H ' ' C ' ' A' ' 35' ' ' ASN . 48.0 t0 175.23 42.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.93 -162.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.038 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -170.59 32.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.503 ' CD1' ' HB2' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -123.65 169.13 11.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 44' ' ' GLU . 21.0 t70 -81.96 -1.73 49.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.516 ' O ' ' CB ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -52.45 -29.05 22.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 108.292 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.447 ' CG1' HD13 ' A' ' 47' ' ' ILE . 25.6 t -69.91 -30.25 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.9 mt-10 -74.34 -39.85 62.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.475 ' HG3' ' CD1' ' A' ' 17' ' ' ILE . 12.0 pt-20 -84.39 -27.6 27.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.256 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 42' ' ' CYS . . . -73.82 -23.41 59.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.447 HD13 ' CG1' ' A' ' 43' ' ' VAL . 5.6 mt -90.52 -50.84 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 1.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -57.18 -51.78 67.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.1 m -61.15 -17.27 52.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.986 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 15.9 t -88.09 113.61 55.69 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 108.29 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.55 9.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.439 1.758 . . . . 0.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -81.26 -7.92 59.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 52' ' ' ALA . 1.7 tt0 36.19 45.41 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.401 ' CB ' ' HB2' ' A' ' 8' ' ' CYS . . . -82.72 -12.31 57.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.408 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 2.5 mm -86.86 129.12 38.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 1.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -145.52 153.24 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.805 ' O ' ' OXT' ' A' ' 58' ' ' SER . 65.8 mtm-85 -87.74 43.22 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 1.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.805 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 2.4 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 1.0 109.991 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.518 ' CD1' ' O ' ' A' ' 35' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.285 -0.635 . . . . 1.0 109.285 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.71 150.8 39.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.279 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.8 p -114.83 140.19 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 54' ' ' ALA . 6.4 m-20 -78.81 -172.22 2.92 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -104.75 -14.82 15.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -28.52 69.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.6 t -55.06 145.84 19.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 108.273 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.438 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 4.3 mmt -98.5 -68.06 0.82 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 9' ' ' MET . . . 167.78 48.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.378 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 78.6 m -73.15 -37.79 66.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 108.352 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 58.66 25.17 12.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.174 . . . . 0.0 110.343 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.68 -49.11 61.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.466 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 1.7 m -63.12 -29.62 70.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 108.287 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.4 t -74.86 -32.81 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.91 -16.47 59.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.477 ' CD1' ' CD ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -103.43 -31.3 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 1.0 109.352 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.535 ' SG ' ' CG2' ' A' ' 21' ' ' VAL . 5.3 t -144.52 72.95 15.69 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 108.279 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 4.31 4.86 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.498 1.789 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.83 -11.39 18.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.378 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.535 ' CG2' ' SG ' ' A' ' 18' ' ' CYS . 69.6 t -115.52 -20.83 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.41 ' CE1' HG13 ' A' ' 21' ' ' VAL . 34.4 m-85 -139.0 134.82 33.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 110.963 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -149.92 136.22 18.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.422 ' HB3' ' HA2' ' A' ' 28' ' ' GLY . 0.9 OUTLIER -51.79 145.92 8.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 28' ' ' GLY . 11.6 p-10 -61.18 -155.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -70.27 -53.86 15.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.409 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 1.9 mm-40 -71.04 -14.04 62.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.342 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.487 ' N ' ' OD1' ' A' ' 25' ' ' ASN . . . 67.27 40.05 92.1 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.587 1.179 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.97 -12.23 12.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 0.776 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -136.65 137.64 40.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 1.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.77 96.22 9.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.249 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.4 t -83.21 146.08 7.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 74.0 t -77.48 137.02 23.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.476 HG13 ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -110.28 -32.44 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 1.0 109.208 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.518 ' O ' ' CD1' ' A' ' 2' ' ' ILE . 11.3 t-20 -113.04 92.18 20.62 Favored Pre-proline 0 C--N 1.323 -0.548 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 34' ' ' ILE . 18.2 Cg_endo -74.93 32.84 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.41 1.742 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.498 ' H ' ' C ' ' A' ' 35' ' ' ASN . 28.6 t70 177.26 40.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.503 ' OG ' ' CD1' ' A' ' 40' ' ' LEU . 12.5 t -31.42 -69.37 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.01 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.406 ' CB ' ' O ' ' A' ' 38' ' ' SER . 9.0 t70 75.74 9.63 3.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.503 ' CD1' ' OG ' ' A' ' 38' ' ' SER . 0.7 OUTLIER -85.99 -144.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 41' ' ' ASP . 8.9 t70 -140.37 13.38 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.401 ' SG ' HD11 ' A' ' 40' ' ' LEU . 27.6 p -95.81 -10.64 28.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 108.235 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.433 HG11 ' CD1' ' A' ' 47' ' ' ILE . 71.3 t -69.43 -35.47 67.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.34 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.51 -41.35 96.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.477 ' CD ' ' CD1' ' A' ' 17' ' ' ILE . 18.6 pt-20 -81.34 -8.37 59.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.253 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.466 ' CB ' ' HB3' ' A' ' 14' ' ' CYS . . . -95.42 -13.44 24.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.433 ' CD1' HG11 ' A' ' 43' ' ' VAL . 3.6 mt -105.39 -47.72 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 1.0 109.226 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.33 -43.22 96.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.1 m -71.67 -9.05 57.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 110.006 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.509 ' SG ' ' CD1' ' A' ' 55' ' ' ILE . 49.3 t -87.4 113.99 56.64 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.315 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -32.03 5.79 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -88.93 -8.69 53.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 109.347 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 52' ' ' ALA . 41.0 mt-10 37.73 50.56 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.402 ' O ' ' OD1' ' A' ' 5' ' ' ASN . . . -77.45 -10.7 59.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.509 ' CD1' ' SG ' ' A' ' 50' ' ' CYS . 3.8 mp -87.02 110.52 20.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 1.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.1 m -113.83 165.65 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.461 ' O ' ' OXT' ' A' ' 58' ' ' SER . 0.1 OUTLIER -90.31 35.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 1.0 110.301 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.461 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 1.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.522 ' CD1' ' HA ' ' A' ' 36' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.308 -0.627 . . . . 1.0 109.308 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 55' ' ' ILE . 10.9 tt0 -148.92 141.85 24.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.264 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.415 ' O ' ' HB2' ' A' ' 5' ' ' ASN . 7.4 p -107.61 -23.8 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 4' ' ' VAL . 76.4 m-20 63.97 -171.12 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -107.63 -6.05 17.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -67.28 -39.65 86.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.469 ' SG ' ' N ' ' A' ' 9' ' ' MET . 0.8 OUTLIER -47.98 162.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 108.291 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.469 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.0 OUTLIER -103.01 -77.36 0.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 111.012 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 9' ' ' MET . . . 168.8 41.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 m -66.51 -37.33 84.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 108.329 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.41 ' CD ' ' CG ' ' A' ' 24' ' ' MET . 1.3 mt-10 58.85 17.93 5.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.358 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.68 -47.38 72.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -61.91 -31.51 71.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 108.303 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 66.6 t -75.7 -29.82 20.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.261 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.77 9.98 3.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 110.262 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.468 HG21 ' N ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -133.95 -43.66 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.579 1.174 . . . . 1.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.468 ' N ' HG21 ' A' ' 17' ' ' ILE . 1.4 t -125.29 74.14 67.7 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 108.291 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HD3' ' C ' ' A' ' 17' ' ' ILE . 18.4 Cg_endo -75.05 2.1 7.03 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.569 1.826 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -101.17 -11.92 19.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.241 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.462 ' C ' HG13 ' A' ' 34' ' ' ILE . 62.8 t -112.35 -26.44 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -139.05 133.84 32.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -141.19 136.87 32.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.322 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.422 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -40.92 153.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 111.042 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.612 ' OD1' ' N ' ' A' ' 28' ' ' GLY . 20.0 p-10 -91.48 -150.85 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.518 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 2.4 tt0 -43.44 -36.11 1.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.265 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.453 ' CG ' ' C ' ' A' ' 26' ' ' GLU . 4.3 mt-10 -154.56 31.07 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.612 ' N ' ' OD1' ' A' ' 25' ' ' ASN . . . 69.08 11.14 63.22 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -58.04 -17.18 16.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 109.296 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.7 pttt -167.33 109.2 0.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 1.0 109.266 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.75 104.62 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.441 HG22 ' CA ' ' A' ' 25' ' ' ASN . 53.2 t -76.08 169.96 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.438 ' CG1' ' CD1' ' A' ' 2' ' ' ILE . 59.6 t -105.24 141.98 19.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.462 HG13 ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -118.72 -31.01 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.523 1.139 . . . . 1.0 109.318 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.664 ' ND2' ' HG ' ' A' ' 38' ' ' SER . 21.2 t-20 -115.51 82.29 9.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.522 ' HA ' ' CD1' ' A' ' 2' ' ' ILE . 18.2 Cg_endo -74.94 37.58 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.515 1.797 . . . . 0.0 110.968 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.465 ' H ' ' C ' ' A' ' 35' ' ' ASN . 34.6 t0 179.17 40.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.366 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.664 ' HG ' ' ND2' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -83.43 -76.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.963 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 t0 40.25 46.38 1.93 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 1.157 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.458 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 2.5 pp -108.97 44.16 1.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 44' ' ' GLU . 18.0 t0 79.49 -51.35 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.9 t -43.33 -30.39 0.51 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 108.237 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.429 ' N ' ' C ' ' A' ' 41' ' ' ASP . 2.5 t -76.47 -46.4 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 41' ' ' ASP . 8.3 mt-10 -56.86 -32.92 66.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.356 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -89.24 -4.59 58.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.335 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.73 -15.8 17.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.471 ' CG1' ' CG2' ' A' ' 55' ' ' ILE . 6.0 mt -99.43 -36.07 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 1.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -65.34 -19.64 66.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.44 ' O ' ' HD3' ' A' ' 51' ' ' PRO . 48.7 m -99.73 -1.03 38.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 110.053 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 53.8 t -88.68 111.64 45.43 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.455 1.097 . . . . 0.0 108.328 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' A' ' 49' ' ' SER . 18.3 Cg_endo -75.01 -32.51 5.3 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.468 1.772 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -85.82 -6.68 59.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.24 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.45 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 4.0 tt0 38.22 38.45 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.85 -9.74 58.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.471 ' CG2' ' CG1' ' A' ' 47' ' ' ILE . 1.0 OUTLIER -85.46 119.7 34.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.61 1.194 . . . . 1.0 109.332 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.49 162.03 36.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.87 48.87 1.14 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.542 1.151 . . . . 1.0 110.323 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 1.0 109.981 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.502 ' CG2' ' O ' ' A' ' 2' ' ' ILE . 2.0 mp . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.31 -0.626 . . . . 1.0 109.31 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.481 ' CB ' HG22 ' A' ' 33' ' ' VAL . 11.3 mt-10 -135.31 -156.13 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.467 ' CG1' ' CG1' ' A' ' 55' ' ' ILE . 0.4 OUTLIER -127.36 -104.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.478 ' N ' ' OD1' ' A' ' 5' ' ' ASN . 0.2 OUTLIER 178.01 -171.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -93.56 3.51 55.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.338 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.9 -41.72 11.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.597 1.186 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -45.38 162.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 108.242 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.457 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -106.69 -86.35 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' A' ' 9' ' ' MET . . . 166.5 61.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.392 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 12' ' ' GLU . 1.8 t -72.22 -30.09 64.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 108.275 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.497 ' OE2' ' CG ' ' A' ' 24' ' ' MET . 1.2 tt0 73.14 10.68 5.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 110.284 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.09 -49.39 51.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.3 p -56.6 -42.15 78.24 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 0.0 108.244 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 51.2 t -71.45 -30.39 39.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.338 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -85.0 41.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.323 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -170.37 -40.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 1.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.495 ' SG ' ' CG2' ' A' ' 21' ' ' VAL . 1.7 t -132.7 68.03 78.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 108.234 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 0.81 8.48 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.405 1.739 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.35 -0.43 43.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.542 HG13 ' CZ ' ' A' ' 22' ' ' PHE . 44.3 t -124.5 -38.82 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.542 ' CZ ' HG13 ' A' ' 21' ' ' VAL . 18.6 m-85 -130.19 121.62 26.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 111.071 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 24' ' ' MET . 4.7 tt0 -126.44 143.47 51.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.497 ' CG ' ' OE2' ' A' ' 12' ' ' GLU . 1.4 mtp -40.43 163.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.643 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 28.9 t30 -84.69 -149.18 0.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.643 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 3.9 tt0 -66.7 -22.44 66.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.417 ' CG ' ' C ' ' A' ' 26' ' ' GLU . 3.0 mt-10 -152.17 19.14 0.66 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.406 ' HA2' ' HB3' ' A' ' 24' ' ' MET . . . 77.51 12.86 84.13 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.488 1.118 . . . . 0.0 111.018 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -62.82 -14.95 51.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.763 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -167.83 161.0 12.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 1.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.06 104.83 17.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.498 ' CG2' ' OD1' ' A' ' 25' ' ' ASN . 78.2 t -77.86 154.34 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.481 HG22 ' CB ' ' A' ' 3' ' ' GLU . 68.8 t -102.84 132.51 48.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.122 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.93 -35.06 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 1.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.499 ' C ' ' H ' ' A' ' 37' ' ' ASP . 5.5 t-20 -114.71 91.18 24.55 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 26.25 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.801 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.499 ' H ' ' C ' ' A' ' 35' ' ' ASN . 16.5 t0 178.41 39.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 39' ' ' ASP . 8.5 t -36.49 -72.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.047 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER 79.72 1.94 2.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 109.371 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.424 ' CD1' ' OG ' ' A' ' 38' ' ' SER . 14.2 mt -66.87 -141.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -134.28 10.48 3.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.9 p -102.16 -22.66 14.16 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.528 1.143 . . . . 0.0 108.313 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.421 ' CG2' ' HB3' ' A' ' 38' ' ' SER . 2.7 t -59.81 -42.3 88.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -66.27 -16.73 64.26 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.561 1.163 . . . . 0.0 110.306 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 49' ' ' SER . 3.6 mm-40 -86.82 -33.96 19.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.285 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.81 -25.15 67.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.3 mt -88.37 -54.63 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 1.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.02 -20.18 56.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.47 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 67.8 m -94.79 -23.83 17.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.031 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.5 t -88.59 113.45 55.62 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.094 . . . . 0.0 108.223 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -23.42 13.86 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.529 1.805 . . . . 0.0 110.971 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.37 -11.12 57.97 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 38.43 37.02 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.35 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.442 ' O ' ' HA ' ' A' ' 4' ' ' VAL . . . -77.27 -10.93 59.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.467 ' CG1' ' CG1' ' A' ' 4' ' ' VAL . 3.7 mt -83.74 119.77 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 1.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.9 m -123.01 151.99 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' SER . 13.4 ptt-85 -100.82 40.48 1.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.17 . . . . 1.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 57' ' ' ARG . 41.5 t . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 1.0 109.957 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.504 HD13 ' CG1' ' A' ' 33' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.313 -0.625 . . . . 1.0 109.313 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.42 152.93 48.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.9 p -108.88 -2.41 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.1 m120 62.12 -169.71 0.17 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -119.01 -42.89 2.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.83 -28.7 2.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.411 1.07 . . . . 0.0 109.256 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.457 ' SG ' ' N ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -53.26 161.0 0.99 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.492 1.12 . . . . 0.0 108.232 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.488 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 18.5 ttm -100.45 -85.05 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 111.065 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 9' ' ' MET . . . 163.06 51.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.28 -29.85 64.28 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.571 1.169 . . . . 0.0 108.276 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 70.31 24.86 4.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.65 -50.78 40.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.426 ' O ' HG23 ' A' ' 17' ' ' ILE . 25.3 p -63.28 -30.39 71.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 108.366 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 90.8 t -74.6 -30.05 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -78.58 -17.81 55.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.475 ' CD1' ' HG3' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -95.44 -43.05 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 1.0 109.309 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 t -139.4 77.69 28.83 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 108.25 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 3.54 5.49 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.588 1.836 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.63 -13.29 19.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.435 HG13 ' CZ ' ' A' ' 22' ' ' PHE . 94.4 t -112.92 -27.39 2.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.435 ' CZ ' HG13 ' A' ' 21' ' ' VAL . 29.9 m-85 -136.48 117.74 14.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.471 ' CG ' ' N ' ' A' ' 24' ' ' MET . 3.9 tt0 -124.13 157.85 33.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 110.227 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.495 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -58.51 145.87 37.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.628 ' OD1' ' N ' ' A' ' 29' ' ' ASP . 9.5 p-10 -79.03 -150.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.36 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.43 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 3.0 tt0 -55.35 -48.73 73.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -121.04 20.99 11.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.565 ' N ' ' OD1' ' A' ' 25' ' ' ASN . . . 55.19 20.19 20.13 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.628 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 1.5 t70 -76.43 -7.63 55.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 0.801 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -159.43 120.56 3.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 1.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.41 109.27 0.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.1 t -86.24 155.63 3.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 109.342 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.504 ' CG1' HD13 ' A' ' 2' ' ' ILE . 46.3 t -93.24 137.79 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.42 HG13 ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -113.01 -30.69 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.413 1.07 . . . . 1.0 109.334 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.477 ' C ' ' H ' ' A' ' 37' ' ' ASP . 5.9 t-20 -115.94 81.76 10.2 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.5 ' HA ' ' CD1' ' A' ' 2' ' ' ILE . 18.2 Cg_endo -75.05 37.36 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.479 1.778 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.477 ' H ' ' C ' ' A' ' 35' ' ' ASN . 36.1 t70 174.06 44.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.43 -163.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 109.946 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -171.47 32.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 109.255 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.456 ' CD1' ' SG ' ' A' ' 42' ' ' CYS . 0.3 OUTLIER -115.61 -171.01 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.901 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 44' ' ' GLU . 13.3 t70 -104.51 -11.2 17.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.229 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -51.8 -29.01 17.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 108.298 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.42 HG13 ' NE ' ' A' ' 57' ' ' ARG . 80.4 t -67.35 -27.73 39.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.7 tt0 -77.16 -42.96 35.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.33 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.475 ' HG3' ' CD1' ' A' ' 17' ' ' ILE . 3.5 pt-20 -82.24 -16.04 50.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 42' ' ' CYS . . . -86.62 -14.35 42.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.469 HG13 ' CG2' ' A' ' 55' ' ' ILE . 0.5 OUTLIER -102.48 -46.04 10.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 1.0 109.243 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.61 -29.47 70.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.37 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.0 m -81.82 -9.24 59.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.024 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 29.0 t -88.36 113.08 53.73 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.431 1.082 . . . . 0.0 108.254 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -31.93 5.73 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.48 1.779 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.39 -6.49 58.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.452 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 2.6 tp10 38.9 34.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.33 -18.59 57.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.393 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.469 ' CG2' HG13 ' A' ' 47' ' ' ILE . 1.0 OUTLIER -88.68 120.27 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 1.0 109.379 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -125.13 -178.96 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.914 ' O ' ' OXT' ' A' ' 58' ' ' SER . 9.4 mtt180 -121.83 43.22 2.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.414 1.071 . . . . 1.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.914 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 18.9 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 1.0 109.968 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.576 ' CD1' ' O ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.309 -0.626 . . . . 1.0 109.309 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.457 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . 4.9 tt0 -134.43 148.06 50.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.427 ' O ' ' CG2' ' A' ' 4' ' ' VAL . 2.7 p -134.31 9.96 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 4' ' ' VAL . 24.9 m-20 46.02 -170.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -119.85 -30.42 4.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.416 1.073 . . . . 0.0 109.349 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.02 -19.12 40.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.429 ' SG ' ' N ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -55.68 159.69 2.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 108.315 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.429 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.3 mtp -108.11 -92.68 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 173.59 41.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.7 t -61.75 -29.84 70.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 108.319 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 71.71 26.29 3.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.15 -48.92 55.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.503 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . 10.6 p -62.28 -34.49 76.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 108.298 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.453 ' CG1' ' HA ' ' A' ' 23' ' ' GLU . 25.3 t -74.64 -29.29 23.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -86.3 27.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 110.345 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.513 ' C ' ' CD1' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -148.41 -46.55 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 1.0 109.241 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.487 ' N ' HG21 ' A' ' 17' ' ' ILE . 3.9 t -135.51 83.5 36.82 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 108.237 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.513 ' O ' ' CD1' ' A' ' 34' ' ' ILE . 18.6 Cg_endo -74.98 7.9 2.65 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.538 1.809 . . . . 0.0 111.023 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -108.75 -7.62 15.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.582 HG11 ' CE1' ' A' ' 22' ' ' PHE . 71.9 t -116.43 -34.72 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.582 ' CE1' HG11 ' A' ' 21' ' ' VAL . 17.9 m-85 -141.35 125.51 17.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 111.054 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.501 ' O ' ' CG1' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -147.4 141.73 26.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.077 . . . . 0.0 110.328 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.449 ' C ' ' O ' ' A' ' 23' ' ' GLU . 2.0 mtm -33.94 142.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 30' ' ' LYS . 11.8 p-10 -70.64 -156.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.259 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -52.1 53.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.266 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.424 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 2.3 mm-40 -80.34 -3.4 49.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.473 ' N ' ' OD1' ' A' ' 25' ' ' ASN . . . 60.46 32.15 76.71 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.524 1.14 . . . . 0.0 111.059 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 1.1 t0 -112.37 -10.65 13.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.761 . . . . 0.0 109.387 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 25' ' ' ASN . 10.2 mtmm -137.4 128.46 27.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 1.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.61 95.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 23' ' ' GLU . 3.5 p -76.1 160.7 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.421 HG12 ' CD1' ' A' ' 2' ' ' ILE . 79.8 t -96.21 137.09 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.513 ' CD1' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -111.46 -26.79 3.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.431 1.082 . . . . 1.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.576 ' O ' ' CD1' ' A' ' 2' ' ' ILE . 16.8 t-20 -113.14 89.35 13.97 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.447 ' HD3' ' O ' ' A' ' 34' ' ' ILE . 18.3 Cg_endo -74.99 28.56 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.435 1.755 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.5 ' H ' ' C ' ' A' ' 35' ' ' ASN . 33.1 t70 -172.73 34.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.1 t -50.75 -95.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.991 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 57.52 22.24 7.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.559 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 2.7 pp -94.85 22.24 6.66 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 40' ' ' LEU . 4.8 t70 87.11 -37.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.512 ' HA ' ' CG ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -41.66 -35.9 0.85 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.09 . . . . 0.0 108.282 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.471 ' CG1' HD13 ' A' ' 47' ' ' ILE . 2.2 t -68.96 -48.34 70.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.357 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -57.71 -28.18 63.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.512 ' CG ' ' HA ' ' A' ' 42' ' ' CYS . 12.1 pt-20 -98.04 -14.7 20.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.348 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 42' ' ' CYS . . . -93.06 -22.33 19.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.471 HD13 ' CG1' ' A' ' 43' ' ' VAL . 20.2 mt -87.88 -40.82 13.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 1.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.09 -26.4 68.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.4 ' O ' ' HD3' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -86.98 -15.32 39.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.079 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 34.9 t -84.92 113.31 49.06 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 108.323 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 49' ' ' SER . 18.3 Cg_endo -74.97 -32.54 5.34 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.528 1.804 . . . . 0.0 111.061 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -81.4 -6.78 59.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 52' ' ' ALA . 3.2 pt-20 34.17 45.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.327 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.65 -20.52 31.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.228 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.422 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 3.0 pt -91.82 129.98 41.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 1.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.457 ' CG2' ' HB3' ' A' ' 3' ' ' GLU . 3.2 m -143.2 -175.28 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 58' ' ' SER . 7.0 ptm180 -125.19 43.96 2.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 1.0 110.33 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 57' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 1.0 110.035 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.489 HD13 ' CG1' ' A' ' 33' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.306 -0.628 . . . . 1.0 109.306 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.469 ' CG ' ' C ' ' A' ' 2' ' ' ILE . 0.2 OUTLIER -159.96 -179.45 7.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 55' ' ' ILE . 33.7 m -130.86 -162.59 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.94 -159.19 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -100.66 11.54 39.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.04 -34.44 12.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -51.33 157.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 108.32 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 7.9 mtt -102.88 -93.52 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 170.98 41.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.082 . . . . 0.0 109.307 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.87 -28.97 67.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 108.293 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 69.91 30.91 3.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 0.0 110.259 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.33 -48.29 61.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.2 p -62.16 -33.94 75.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 108.354 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 75.9 t -74.12 -29.6 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -83.93 38.39 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.435 HG21 ' N ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER -165.88 -42.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 1.0 109.328 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.435 ' N ' HG21 ' A' ' 17' ' ' ILE . 1.1 t -135.18 71.85 67.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.616 1.197 . . . . 0.0 108.214 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 2.66 6.36 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.526 1.803 . . . . 0.0 111.019 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.52 -9.67 29.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.502 HG13 ' CE1' ' A' ' 22' ' ' PHE . 85.6 t -119.79 -34.3 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.546 ' CE1' HD13 ' A' ' 55' ' ' ILE . 24.5 m-85 -132.55 125.3 30.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.513 ' CB ' ' CD1' ' A' ' 34' ' ' ILE . 9.4 tp10 -137.62 150.56 47.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.426 ' O ' ' O ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -51.43 150.54 3.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.969 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.543 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 28.4 t30 -60.83 -143.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.543 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -85.82 -22.0 27.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.233 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -140.35 11.7 2.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 1.081 . . . . 0.0 110.291 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.93 13.65 83.43 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.485 1.116 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.28 -15.31 15.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 0.75 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -179.28 159.36 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 1.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.59 114.33 17.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.377 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' ' 23' ' ' GLU . 7.2 p -97.86 162.98 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.489 ' CG1' HD13 ' A' ' 2' ' ' ILE . 52.5 t -94.51 146.4 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.245 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.513 ' CD1' ' CB ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -119.65 -35.35 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 1.0 109.325 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.467 ' C ' ' H ' ' A' ' 37' ' ' ASP . 3.3 t-20 -117.41 79.72 12.11 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.409 1.068 . . . . 0.0 109.389 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.488 ' HA ' ' CD1' ' A' ' 2' ' ' ILE . 18.1 Cg_endo -75.04 39.09 0.57 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.485 1.781 . . . . 0.0 110.955 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.47 ' HB2' ' O ' ' A' ' 36' ' ' PRO . 52.2 t0 170.79 42.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.77 -165.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -171.79 33.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.463 ' CD2' ' SG ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -94.19 -168.61 1.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.589 1.181 . . . . 0.0 109.262 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -115.11 1.7 13.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.253 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.463 ' SG ' ' CD2' ' A' ' 40' ' ' LEU . 5.5 p -88.93 12.29 15.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 108.355 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.419 ' CG2' ' CD1' ' A' ' 40' ' ' LEU . 3.9 t -90.6 -34.42 6.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.4 -38.07 63.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 0.0 110.337 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -81.91 -13.2 57.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.19 -20.27 24.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mp -96.56 -41.37 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 1.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.35 -31.71 72.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.3 m -74.9 -9.42 58.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.962 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.459 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 40.7 t -86.65 113.2 51.72 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 108.377 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -32.21 5.49 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.791 . . . . 0.0 110.938 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -84.79 -6.34 59.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.459 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 5.2 pt-20 37.73 35.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.69 -17.83 57.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.546 HD13 ' CE1' ' A' ' 22' ' ' PHE . 5.7 tt -87.9 104.62 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 1.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.6 m -104.99 154.89 6.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.953 ' O ' ' OXT' ' A' ' 58' ' ' SER . 83.8 mtm180 -104.99 48.13 0.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 1.0 110.336 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.953 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 1.0 110.033 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.56 ' CD1' ' O ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.28 -0.637 . . . . 1.0 109.28 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.461 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . 22.9 tp10 -135.64 149.91 49.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.595 1.184 . . . . 0.0 110.352 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.6 p -158.77 97.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.496 ' OD1' ' CB ' ' A' ' 54' ' ' ALA . 0.9 OUTLIER -53.83 -172.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.434 ' C ' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -102.66 -32.99 9.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 6' ' ' ASP . 48.5 m-20 -39.07 -31.63 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.463 ' HB2' ' CB ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -52.45 156.58 1.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 108.269 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.457 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -104.81 -82.94 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 111.04 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' A' ' 9' ' ' MET . . . 166.83 62.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.414 1.072 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.6 t -70.2 -40.24 74.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 108.343 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 78.49 6.94 2.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.175 . . . . 0.0 110.265 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.17 -48.93 60.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.5 p -61.64 -31.83 71.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 108.263 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 82.2 t -75.83 -30.96 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.69 -7.64 59.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 110.268 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.502 ' CD1' ' OE2' ' A' ' 45' ' ' GLU . 0.3 OUTLIER -110.34 -28.66 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 1.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.47 ' SG ' ' CG2' ' A' ' 21' ' ' VAL . 2.0 t -151.1 75.26 8.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 108.282 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.484 ' O ' ' CD1' ' A' ' 34' ' ' ILE . 18.5 Cg_endo -75.01 5.79 3.78 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 0.7 OUTLIER -104.13 -13.79 16.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.592 1.182 . . . . 0.0 109.26 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.561 HG11 ' CE1' ' A' ' 22' ' ' PHE . 93.3 t -112.95 -24.72 3.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.561 ' CE1' HG11 ' A' ' 21' ' ' VAL . 9.6 m-85 -145.69 122.8 11.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 24' ' ' MET . 9.1 tt0 -134.0 134.04 42.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.415 1.072 . . . . 0.0 110.326 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -35.32 151.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 111.043 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.558 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 29.7 t30 -63.64 -143.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.558 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -83.59 -21.63 32.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 110.291 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -144.62 15.38 1.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.243 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.35 13.46 76.44 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.0 -20.63 54.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 0.778 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -178.1 162.45 1.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 1.0 109.251 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.55 106.06 17.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 109.38 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.491 ' CG2' ' OD1' ' A' ' 25' ' ' ASN . 87.0 t -81.28 152.8 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.4 t -88.39 135.95 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -113.03 -28.96 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 1.0 109.334 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.56 ' O ' ' CD1' ' A' ' 2' ' ' ILE . 13.4 t-20 -112.84 90.26 15.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 0.0 109.366 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' ' 34' ' ' ILE . 18.5 Cg_endo -74.91 25.92 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.781 . . . . 0.0 111.076 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.508 ' O ' ' C ' ' A' ' 38' ' ' SER . 28.8 t70 -174.11 38.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.534 ' OG ' ' N ' ' A' ' 39' ' ' ASP . 0.2 OUTLIER -31.03 -87.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.596 1.185 . . . . 0.0 110.031 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.534 ' N ' ' OG ' ' A' ' 38' ' ' SER . 2.2 t0 81.61 24.87 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.549 ' CD1' ' SG ' ' A' ' 42' ' ' CYS . 0.4 OUTLIER -119.08 177.7 4.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -94.58 49.14 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.549 ' SG ' ' CD1' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -115.59 -25.73 7.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 108.279 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.9 t -73.52 -33.47 39.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.29 -33.17 69.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.251 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.502 ' OE2' ' CD1' ' A' ' 17' ' ' ILE . 14.5 pt-20 -91.33 -21.23 21.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 42' ' ' CYS . . . -82.52 -27.73 31.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 109.359 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.6 mt -82.75 -48.63 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 1.0 109.323 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.23 -38.1 76.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.227 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.5 m -75.01 -21.96 58.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.97 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 19.0 t -88.03 113.73 56.16 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 108.29 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -30.42 7.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.773 . . . . 0.0 111.037 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.485 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -81.39 -6.78 59.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 52' ' ' ALA . 3.9 pm0 31.84 48.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.266 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.496 ' CB ' ' OD1' ' A' ' 5' ' ' ASN . . . -78.1 -23.09 48.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.2 pt -92.02 129.29 42.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 1.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 3' ' ' GLU . 6.3 m -138.74 162.04 29.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 58' ' ' SER . 0.5 OUTLIER -119.35 45.15 2.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 1.0 110.326 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 57' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.365 1.041 . . . . 1.0 109.989 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.551 HG13 ' CG2' ' A' ' 33' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.33 -0.618 . . . . 1.0 109.33 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.435 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . 2.2 tp10 -164.43 143.59 7.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -114.94 155.12 16.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.486 ' HB2' ' CB ' ' A' ' 54' ' ' ALA . 1.5 t-20 -91.95 -148.16 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -125.13 -42.16 2.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -63.72 -32.86 74.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.467 ' HB2' ' CB ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -45.42 141.34 2.67 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 108.278 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.483 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 35.0 mtt -107.25 -70.62 0.79 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 9' ' ' MET . . . 164.57 67.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.98 -33.78 68.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 108.262 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.435 ' CA ' HG23 ' A' ' 15' ' ' VAL . 2.2 mt-10 68.25 9.01 6.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.7 -38.73 73.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 18.3 p -62.54 -42.19 99.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 108.283 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.435 HG23 ' CA ' ' A' ' 12' ' ' GLU . 4.9 m -72.77 -31.36 36.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.561 1.163 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.43 ' N ' HG21 ' A' ' 15' ' ' VAL . 0.5 OUTLIER -64.15 -33.36 75.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.436 HG23 ' N ' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -88.14 -42.99 15.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 1.0 109.303 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.501 ' SG ' ' CG2' ' A' ' 21' ' ' VAL . 2.7 t -126.08 74.27 71.91 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 108.276 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 1.99 7.13 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.441 1.758 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.3 -11.86 18.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.407 1.067 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.501 ' CG2' ' SG ' ' A' ' 18' ' ' CYS . 55.5 t -113.22 -23.36 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.438 ' CE1' HG11 ' A' ' 21' ' ' VAL . 39.7 m-85 -142.43 141.37 32.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -146.58 130.33 17.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.18 . . . . 0.0 110.282 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -39.23 151.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 111.038 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.554 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 21.3 t30 -66.64 -147.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.351 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.554 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 2.2 tt0 -74.67 -24.9 58.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.165 . . . . 0.0 110.284 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -142.06 11.32 1.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.79 25.81 68.67 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.449 1.093 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.29 -12.72 59.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 0.718 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.49 104.81 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 1.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.85 117.77 1.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.448 ' CG2' ' OD1' ' A' ' 25' ' ' ASN . 60.1 t -91.58 170.31 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.551 ' CG2' HG13 ' A' ' 2' ' ' ILE . 85.9 t -112.37 131.9 62.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.405 HG13 ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -99.08 -33.03 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 1.0 109.322 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.479 ' C ' ' H ' ' A' ' 37' ' ' ASP . 4.4 t-20 -116.59 82.15 12.18 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.571 1.17 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.462 ' HA ' ' CD1' ' A' ' 2' ' ' ILE . 18.5 Cg_endo -74.95 36.87 0.45 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.546 1.814 . . . . 0.0 110.961 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.479 ' H ' ' C ' ' A' ' 35' ' ' ASN . 24.0 t70 170.97 41.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 109.348 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.03 -167.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 109.96 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -171.22 32.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.28 -148.47 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -137.48 12.15 2.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.394 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.3 p -87.41 -16.11 35.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 108.28 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.1 t -77.47 -28.14 15.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -68.57 -27.29 65.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 110.276 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 49' ' ' SER . 0.4 OUTLIER -84.88 -32.53 23.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.436 ' N ' HG23 ' A' ' 17' ' ' ILE . . . -65.38 -24.93 67.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -88.22 -53.65 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 1.0 109.271 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.1 -18.12 59.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 61.6 m -97.24 -19.99 18.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.03 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.469 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 15.9 t -83.59 113.12 44.85 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 108.281 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 49' ' ' SER . 18.2 Cg_endo -74.97 -32.08 5.73 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.483 1.78 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -80.76 -5.9 57.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.287 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.469 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 0.1 OUTLIER 36.65 34.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.486 ' CB ' ' HB2' ' A' ' 5' ' ' ASN . . . -77.45 -23.33 50.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -93.22 110.48 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 1.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.435 ' CG2' ' HB3' ' A' ' 3' ' ' GLU . 17.4 m -124.0 173.38 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.332 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 58' ' ' SER . 14.1 ptm180 -122.35 42.17 3.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.137 . . . . 1.0 110.233 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 57' ' ' ARG . 31.4 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 1.0 109.979 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.512 HD12 ' O ' ' A' ' 35' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.336 -0.616 . . . . 1.0 109.336 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.24 -165.47 1.97 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.105 . . . . 0.0 110.333 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.451 ' CG1' ' HA ' ' A' ' 55' ' ' ILE . 2.7 m -130.62 -110.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.498 ' N ' ' OD1' ' A' ' 5' ' ' ASN . 0.2 OUTLIER 175.82 -171.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.58 -37.75 49.84 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -44.22 -51.07 8.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 9' ' ' MET . 0.1 OUTLIER -50.12 160.39 0.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 108.302 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.454 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 12.3 ttm -100.54 -88.31 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 110.985 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.435 ' N ' ' HG2' ' A' ' 9' ' ' MET . . . 174.14 41.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.67 -26.93 67.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 108.283 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.472 ' CA ' HG23 ' A' ' 15' ' ' VAL . 82.3 mt-10 59.36 17.97 6.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.62 -49.58 52.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 p -52.75 -42.32 64.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 108.3 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.472 HG23 ' CA ' ' A' ' 12' ' ' GLU . 3.6 m -73.29 -29.23 27.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 109.33 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.433 ' N ' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -67.51 -14.86 63.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.316 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.444 HG21 ' N ' ' A' ' 18' ' ' CYS . 0.2 OUTLIER -108.48 -37.7 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 1.0 109.335 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.444 ' N ' HG21 ' A' ' 17' ' ' ILE . 0.5 OUTLIER -134.48 71.79 71.01 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.578 1.174 . . . . 0.0 108.254 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 3.95 5.14 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.499 1.789 . . . . 0.0 110.988 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -97.94 -13.02 21.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.578 HG13 ' CE1' ' A' ' 22' ' ' PHE . 61.0 t -114.09 -28.52 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.393 1.058 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.578 ' CE1' HG13 ' A' ' 21' ' ' VAL . 12.9 m-85 -135.36 137.73 42.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.082 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 24' ' ' MET . 0.0 OUTLIER -146.28 139.91 26.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 110.302 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.419 ' N ' ' HG2' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -41.74 142.06 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.531 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 21.3 t30 -61.94 -147.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.531 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 2.8 tt0 -74.19 -25.63 59.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.606 1.191 . . . . 0.0 110.249 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -135.44 6.19 3.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.406 ' HA2' ' HB3' ' A' ' 24' ' ' MET . . . 73.19 23.25 77.94 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.16 -7.52 54.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 0.741 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -171.62 133.01 0.76 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 1.0 109.232 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.83 112.43 1.64 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -82.48 160.17 3.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.42 ' CG2' ' O ' ' A' ' 2' ' ' ILE . 87.5 t -110.6 129.39 65.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.433 HG13 ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -104.72 -39.81 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 1.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.512 ' O ' HD12 ' A' ' 2' ' ' ILE . 6.9 t-20 -116.26 86.38 17.41 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.411 ' C ' HD12 ' A' ' 2' ' ' ILE . 18.5 Cg_endo -74.99 29.76 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.479 1.778 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.504 ' H ' ' C ' ' A' ' 35' ' ' ASN . 31.8 t70 -177.87 48.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.12 -161.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.012 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -171.38 32.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.532 ' CD2' ' SG ' ' A' ' 42' ' ' CYS . 0.3 OUTLIER -107.38 -169.07 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -115.24 15.87 16.92 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.532 ' SG ' ' CD2' ' A' ' 40' ' ' LEU . 4.6 p -102.05 17.84 22.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.272 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.0 t -103.09 -26.92 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -85.72 -23.44 27.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -85.08 -16.45 40.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 110.276 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.12 -19.03 30.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 50.2 mt -97.09 -45.06 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 1.0 109.302 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -59.37 -42.8 92.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.1 m -75.32 -9.15 58.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 39.7 t -88.01 112.97 52.67 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 108.26 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -32.79 5.19 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.458 1.767 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -82.14 -7.08 59.61 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.44 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 3.1 mt-10 35.93 36.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 0.0 110.315 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -78.03 -14.04 59.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.451 ' HA ' ' CG1' ' A' ' 4' ' ' VAL . 1.3 tt -86.57 112.12 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 1.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 m -111.17 158.04 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.579 1.174 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.503 ' O ' ' OXT' ' A' ' 58' ' ' SER . 4.1 ptt85 -121.0 48.28 1.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 1.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.503 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 19.1 t . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 1.0 109.977 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.421 HD13 ' O ' ' A' ' 35' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.254 -0.647 . . . . 1.0 109.254 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -117.85 167.78 11.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.398 1.061 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.423 HG21 ' N ' ' A' ' 5' ' ' ASN . 11.5 p -122.5 161.78 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.243 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.423 ' N ' HG21 ' A' ' 4' ' ' VAL . 5.6 m-20 -91.13 -171.75 3.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.555 1.159 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -103.97 -27.26 12.26 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -62.45 -20.2 64.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.33 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.29 136.9 48.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 108.329 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.543 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -97.84 -16.1 19.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.18 . . . . 0.0 111.011 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 9' ' ' MET . . . 87.74 70.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.395 1.06 . . . . 0.0 109.335 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.57 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 0.6 OUTLIER -72.64 -40.92 66.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 108.318 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.57 ' CG ' ' O ' ' A' ' 11' ' ' CYS . 0.2 OUTLIER 90.05 7.87 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.42 -49.96 56.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.7 p -62.44 -31.41 72.11 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.516 1.135 . . . . 0.0 108.333 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.0 t -73.67 -31.4 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -83.71 -11.99 56.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.482 HG21 ' N ' ' A' ' 18' ' ' CYS . 0.4 OUTLIER -98.68 -33.05 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 1.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.482 ' N ' HG21 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -160.54 83.77 2.03 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.453 1.096 . . . . 0.0 108.318 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.511 ' O ' ' CD1' ' A' ' 34' ' ' ILE . 18.1 Cg_endo -75.01 5.4 4.01 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.467 1.772 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -100.03 -12.57 19.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.519 HG13 ' CZ ' ' A' ' 22' ' ' PHE . 25.1 t -112.16 -31.06 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.616 ' CE1' ' CD1' ' A' ' 55' ' ' ILE . 14.9 m-85 -140.82 127.44 20.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.484 ' CG ' ' N ' ' A' ' 24' ' ' MET . 9.0 tt0 -141.41 158.44 43.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.484 ' N ' ' CG ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -63.67 143.57 57.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 30' ' ' LYS . 13.1 p-10 -59.75 -154.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.98 -53.99 11.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -73.05 -4.8 34.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.474 ' N ' ' OD1' ' A' ' 25' ' ' ASN . . . 61.47 34.62 89.0 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.98 -1.5 8.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 109.363 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 25' ' ' ASN . 2.0 tptt -135.04 115.27 13.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 1.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.35 100.07 2.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.431 ' CG1' ' N ' ' A' ' 33' ' ' VAL . 83.9 t -96.95 168.27 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.431 ' N ' ' CG1' ' A' ' 32' ' ' VAL . 24.5 t -92.79 144.1 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.088 . . . . 0.0 109.363 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.511 ' CD1' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -114.6 -32.67 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 1.0 109.342 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.491 ' C ' ' H ' ' A' ' 37' ' ' ASP . 9.5 t-20 -111.18 96.66 31.61 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 24.63 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.461 1.769 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.589 ' O ' ' C ' ' A' ' 38' ' ' SER . 16.0 t0 -175.72 36.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.448 1.092 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.589 ' C ' ' O ' ' A' ' 37' ' ' ASP . 1.6 t -22.75 -77.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.048 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.558 ' CB ' ' O ' ' A' ' 38' ' ' SER . 4.8 t0 86.11 15.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.414 HD13 ' OG ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -124.05 152.98 42.02 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.434 1.084 . . . . 0.0 109.253 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 44' ' ' GLU . 18.9 t70 -58.24 -16.38 13.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 46' ' ' ALA . 0.9 OUTLIER -41.92 -39.04 1.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 108.374 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.47 ' CG1' HD13 ' A' ' 47' ' ' ILE . 25.5 t -62.13 -49.0 85.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.353 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' ASP . 0.2 OUTLIER -57.63 -46.51 84.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.595 1.184 . . . . 0.0 110.348 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.446 ' CG ' ' HA ' ' A' ' 42' ' ' CYS . 16.0 pt-20 -78.11 -15.09 59.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.242 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 42' ' ' CYS . . . -88.53 -15.38 35.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.502 ' CG1' ' CG2' ' A' ' 55' ' ' ILE . 6.2 mt -98.93 -44.34 11.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 1.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.04 -15.83 60.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.426 ' O ' ' HD3' ' A' ' 51' ' ' PRO . 1.2 m -99.62 -16.1 18.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.954 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 44.6 t -88.52 112.13 48.17 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 108.337 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 49' ' ' SER . 18.1 Cg_endo -75.02 -33.6 4.43 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.789 . . . . 0.0 110.959 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -82.15 -7.0 59.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.095 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 52' ' ' ALA . 13.2 mt-10 34.12 45.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.373 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.407 ' O ' ' OD1' ' A' ' 5' ' ' ASN . . . -78.29 -13.44 59.85 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.616 ' CD1' ' CE1' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -88.55 108.7 19.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 1.0 109.253 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.1 m -108.5 154.17 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.357 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.731 ' O ' ' OXT' ' A' ' 58' ' ' SER . 7.9 mtt180 -104.12 51.98 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 1.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.731 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 31.6 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 1.0 110.0 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.538 HG13 ' CE1' ' A' ' 22' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.278 -0.638 . . . . 1.0 109.278 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -116.53 163.4 16.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.254 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.0 p -121.37 149.68 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -84.0 -171.48 3.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -109.24 -27.73 9.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -21.68 65.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -55.09 150.44 10.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.405 1.066 . . . . 0.0 108.277 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.492 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 2.1 tpp -108.04 -70.94 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 9' ' ' MET . . . 162.96 58.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 4.1 m -70.09 -28.69 65.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 108.3 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.508 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 0.3 OUTLIER 59.54 14.16 3.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.43 -48.58 55.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.421 ' O ' HG23 ' A' ' 17' ' ' ILE . 30.7 p -61.67 -33.63 74.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 108.296 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.7 t -75.03 -30.87 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -81.84 -16.02 52.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.158 . . . . 0.0 110.332 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.502 ' CD1' ' HG3' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -94.9 -42.53 12.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 1.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -147.93 84.42 6.93 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 108.309 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.424 ' O ' ' CD1' ' A' ' 34' ' ' ILE . 18.2 Cg_endo -75.05 3.16 5.89 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.521 1.801 . . . . 0.0 110.937 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 4.2 t70 -99.21 -13.4 19.74 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.539 ' C ' HG13 ' A' ' 34' ' ' ILE . 48.1 t -109.21 -31.59 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.538 ' CE1' HG13 ' A' ' 2' ' ' ILE . 61.0 m-85 -135.12 124.94 25.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.512 ' CG ' ' N ' ' A' ' 24' ' ' MET . 1.3 tt0 -126.04 161.73 26.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 110.334 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.512 ' N ' ' CG ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -77.24 143.33 39.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.462 ' OD1' ' N ' ' A' ' 28' ' ' GLY . 12.0 p-10 -64.86 -157.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -67.0 -54.59 20.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.385 1.053 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -77.54 0.65 22.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.462 ' N ' ' OD1' ' A' ' 25' ' ' ASN . . . 57.17 29.95 60.38 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.458 1.099 . . . . 0.0 111.017 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.5 OUTLIER -117.35 -9.27 10.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 0.773 . . . . 0.0 109.26 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -121.18 111.85 17.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 1.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.24 99.65 0.94 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.351 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.415 ' CG1' ' N ' ' A' ' 33' ' ' VAL . 58.3 t -90.36 168.77 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.415 ' N ' ' CG1' ' A' ' 32' ' ' VAL . 59.3 t -96.73 148.58 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.539 HG13 ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -126.8 -33.5 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 1.0 109.357 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.515 ' O ' ' CD1' ' A' ' 2' ' ' ILE . 32.5 t-20 -113.95 88.4 14.38 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 34' ' ' ILE . 18.2 Cg_endo -75.05 40.1 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.489 1.784 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.452 ' H ' ' C ' ' A' ' 35' ' ' ASN . 36.0 t70 177.44 37.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.477 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 39.1 t -58.72 -83.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.476 1.11 . . . . 0.0 110.049 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 t0 47.18 40.95 10.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.565 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 1.8 pp -113.39 27.64 9.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.565 ' CB ' ' O ' ' A' ' 40' ' ' LEU . 10.7 t0 87.49 -36.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.165 . . . . 0.0 109.249 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.535 ' O ' ' CB ' ' A' ' 46' ' ' ALA . 1.2 m -49.58 -34.54 18.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 108.384 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.489 ' CG1' HD13 ' A' ' 47' ' ' ILE . 98.7 t -69.22 -34.21 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 41' ' ' ASP . 23.7 tt0 -70.55 -38.08 74.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.502 ' HG3' ' CD1' ' A' ' 17' ' ' ILE . 11.0 pt-20 -87.35 -23.83 24.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.251 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.535 ' CB ' ' O ' ' A' ' 42' ' ' CYS . . . -78.82 -22.12 46.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.489 HD13 ' CG1' ' A' ' 43' ' ' VAL . 5.8 mt -90.53 -48.43 14.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 1.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -58.93 -38.84 79.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 93.5 p -74.23 -19.67 60.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.98 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 42.5 t -87.2 113.32 53.23 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 108.283 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -31.53 6.11 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.546 1.813 . . . . 0.0 111.044 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.455 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -84.19 -6.8 59.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 52' ' ' ALA . 1.7 pt-20 34.81 46.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 110.268 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.97 -11.7 59.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.454 HG23 ' CZ ' ' A' ' 22' ' ' PHE . 5.9 mt -87.89 112.14 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 1.0 109.246 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.5 m -117.61 168.8 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -104.68 51.54 0.76 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.507 1.129 . . . . 1.0 110.331 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.548 1.155 . . . . 1.0 109.984 -179.946 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.613 HG13 ' CE1' ' A' ' 22' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.315 -0.624 . . . . 1.0 109.315 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -97.57 152.39 19.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.441 1.088 . . . . 0.0 110.288 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.478 ' CG2' HD12 ' A' ' 55' ' ' ILE . 2.4 p -125.5 2.84 4.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.198 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 m120 56.29 -172.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -119.44 -32.61 4.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.261 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -58.75 -16.55 17.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -53.21 161.03 0.95 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.128 . . . . 0.0 108.257 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.516 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -102.83 -84.66 0.46 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 9' ' ' MET . . . 162.45 59.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -72.84 -29.26 63.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 108.26 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.412 ' HG2' ' CE ' ' A' ' 24' ' ' MET . 0.8 OUTLIER 68.22 8.43 6.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.251 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.61 -47.99 61.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.4 p -60.51 -34.78 74.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 108.356 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.4 t -73.82 -31.29 30.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -75.89 -16.58 60.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.311 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.498 HG22 ' CA ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -97.5 -46.24 12.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 1.0 109.337 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.479 ' SG ' ' CG2' ' A' ' 21' ' ' VAL . 0.5 OUTLIER -137.65 78.05 38.06 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 108.304 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 2.26 6.86 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.524 1.802 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.09 -8.42 22.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.484 HG23 ' CB ' ' A' ' 38' ' ' SER . 47.0 t -112.01 -31.67 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.613 ' CE1' HG13 ' A' ' 2' ' ' ILE . 29.0 m-85 -133.23 117.59 17.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.956 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.453 ' CA ' ' OE1' ' A' ' 23' ' ' GLU . 1.5 tp10 -120.65 122.99 41.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 110.315 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.444 ' N ' ' OE1' ' A' ' 23' ' ' GLU . 3.5 mtt -37.74 148.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.575 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 32.3 t30 -60.6 -143.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.575 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 5.3 tt0 -99.84 -14.5 18.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.307 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -114.05 -8.23 13.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.243 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.403 ' HA2' ' HB3' ' A' ' 24' ' ' MET . . . 70.88 38.85 65.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.63 1.77 8.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 0.759 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 25' ' ' ASN . 6.4 ttpt -157.53 124.68 5.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 1.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.07 107.52 11.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.3 t -84.28 149.54 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.378 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.466 ' CG1' HD12 ' A' ' 2' ' ' ILE . 21.7 t -80.7 140.75 16.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.534 1.147 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.456 HG13 ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -119.76 -37.92 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 1.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.702 ' ND2' ' HG ' ' A' ' 38' ' ' SER . 16.9 t-20 -115.52 86.73 15.66 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.411 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 17.9 Cg_endo -75.07 38.75 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.494 1.786 . . . . 0.0 110.977 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.459 ' H ' ' C ' ' A' ' 35' ' ' ASN . 21.2 t0 174.21 41.37 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.702 ' HG ' ' ND2' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -82.31 -81.36 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.5 t70 54.86 50.93 14.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.071 . . . . 0.0 109.246 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.602 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -85.37 9.83 14.42 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.587 1.18 . . . . 0.0 109.352 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.602 ' CB ' ' O ' ' A' ' 40' ' ' LEU . 10.4 t70 90.71 2.54 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.362 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.483 ' SG ' ' CD1' ' A' ' 40' ' ' LEU . 4.1 p -104.56 11.92 33.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.304 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.7 t -92.25 -27.31 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -79.96 -34.99 38.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.469 ' OE2' ' CD1' ' A' ' 17' ' ' ILE . 6.2 pt-20 -81.16 -9.5 59.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.498 ' CA ' HG22 ' A' ' 17' ' ' ILE . . . -92.11 -22.5 19.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.426 ' CG1' ' HB ' ' A' ' 55' ' ' ILE . 3.6 mt -91.0 -45.19 14.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 1.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.37 -43.18 88.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 70.5 m -71.0 -17.89 62.62 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.404 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 15.2 t -86.83 114.02 56.1 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 108.304 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -28.33 9.25 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.479 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -81.91 -6.86 59.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.479 ' C ' ' O ' ' A' ' 52' ' ' ALA . 0.2 OUTLIER 32.98 45.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.87 -11.64 59.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.478 HD12 ' CG2' ' A' ' 4' ' ' VAL . 6.6 mm -87.78 129.86 38.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 1.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.3 173.24 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.581 1.175 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.442 ' O ' ' OXT' ' A' ' 58' ' ' SER . 9.8 ptm180 -109.05 17.72 21.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 1.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.442 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 9.4 t . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 1.0 110.011 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.515 HD13 ' CG1' ' A' ' 33' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.251 -0.648 . . . . 1.0 109.251 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -140.69 153.76 46.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.361 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.2 p -103.04 171.08 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.374 1.046 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 54' ' ' ALA . 11.9 m-20 -114.0 -170.2 1.67 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -105.36 -35.17 7.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.181 . . . . 0.0 109.34 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.21 -18.89 64.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -53.84 145.09 16.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 108.286 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.587 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 8.4 ttt -98.07 -24.09 15.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.587 ' CB ' ' O ' ' A' ' 9' ' ' MET . . . 90.88 65.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.222 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -31.08 64.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 108.326 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 77.37 8.66 2.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.332 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.78 -49.9 48.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.356 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.484 ' HB2' ' CB ' ' A' ' 46' ' ' ALA . 19.4 p -61.21 -30.72 70.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.095 . . . . 0.0 108.314 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.405 ' O ' ' HB3' ' A' ' 19' ' ' PRO . 87.7 t -74.43 -38.89 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.78 -24.0 52.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.45 HG22 ' N ' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -86.65 -38.41 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 1.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.5 ' SG ' ' CG2' ' A' ' 21' ' ' VAL . 1.4 t -141.32 73.1 25.88 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 108.358 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HB3' ' O ' ' A' ' 15' ' ' VAL . 18.5 Cg_endo -74.9 4.26 4.84 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.432 1.754 . . . . 0.0 111.065 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -102.73 -8.2 21.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.5 ' CG2' ' SG ' ' A' ' 18' ' ' CYS . 58.1 t -116.37 -31.76 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -133.48 125.43 28.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.422 1.076 . . . . 0.0 111.004 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.473 ' CB ' HD12 ' A' ' 34' ' ' ILE . 1.7 tt0 -123.0 130.05 52.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.419 1.075 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.9 mtm -38.04 156.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 110.987 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.607 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 26.5 t30 -75.21 -147.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.607 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 5.3 tt0 -68.27 -22.89 64.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 0.0 110.277 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -149.56 15.44 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.29 28.03 68.81 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -87.99 -7.85 56.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 0.756 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 31' ' ' ALA . 6.4 tttm -169.23 89.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 1.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' LYS . . . -39.33 121.78 1.21 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.495 ' CG2' ' OD1' ' A' ' 25' ' ' ASN . 43.5 t -97.15 169.83 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.515 ' CG1' HD13 ' A' ' 2' ' ' ILE . 61.4 t -98.17 143.96 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.473 HD12 ' CB ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -120.13 -36.33 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 1.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.489 ' C ' ' H ' ' A' ' 37' ' ' ASP . 5.1 t-20 -115.69 86.69 16.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.4 1.063 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.48 ' HA ' ' CD1' ' A' ' 2' ' ' ILE . 18.4 Cg_endo -74.98 33.43 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.468 1.773 . . . . 0.0 111.034 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.489 ' H ' ' C ' ' A' ' 35' ' ' ASN . 27.1 t70 171.24 42.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.09 -169.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.041 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.61 30.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.9 mt -90.94 -167.42 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -125.24 27.89 6.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.579 1.175 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.455 ' HA ' ' HG3' ' A' ' 45' ' ' GLU . 0.8 OUTLIER -106.18 -10.94 16.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 108.31 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 46' ' ' ALA . 59.9 t -72.1 -55.73 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.33 -24.46 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.414 1.071 . . . . 0.0 110.277 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 49' ' ' SER . 0.3 OUTLIER -88.06 -35.11 17.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.484 ' CB ' ' HB2' ' A' ' 14' ' ' CYS . . . -64.38 -23.39 67.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -90.64 -51.39 11.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 1.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.52 -22.08 66.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.163 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 53.5 m -91.08 -15.63 29.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.009 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 51.8 t -88.63 112.6 51.3 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 108.253 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 49' ' ' SER . 18.2 Cg_endo -75.03 -32.88 4.97 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.485 1.782 . . . . 0.0 110.956 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -85.06 -7.03 59.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 52' ' ' ALA . 2.4 tm-20 35.58 45.73 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.413 ' O ' ' OD1' ' A' ' 5' ' ' ASN . . . -79.5 -16.07 56.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.9 pt -88.7 117.08 31.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.091 . . . . 1.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 m -112.91 162.33 11.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 0.0 109.241 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.932 ' O ' ' OXT' ' A' ' 58' ' ' SER . 58.2 mtm180 -105.16 39.64 1.68 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 1.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.932 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 12.0 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 1.0 109.964 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.501 ' CD1' ' HA ' ' A' ' 36' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.277 -0.638 . . . . 1.0 109.277 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.454 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . 2.3 tp10 -152.37 156.9 40.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.502 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 3.2 p -136.32 -44.64 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.362 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 4' ' ' VAL . 0.5 OUTLIER 82.81 -171.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.85 -12.55 13.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.6 -20.37 65.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.473 ' SG ' ' N ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -56.25 162.38 2.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 108.276 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.51 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 7.2 mtm -98.86 -90.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.051 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 9' ' ' MET . . . 162.27 50.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.403 ' O ' ' CB ' ' A' ' 12' ' ' GLU . 4.3 p -72.71 -40.88 65.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.065 . . . . 0.0 108.302 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 11' ' ' CYS . 41.2 tt0 79.61 16.2 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.24 -50.31 48.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.7 p -62.82 -30.86 71.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 108.334 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.8 t -73.82 -34.42 40.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.24 -19.4 53.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.422 HG21 ' N ' ' A' ' 18' ' ' CYS . 0.5 OUTLIER -91.4 -38.51 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 1.0 109.327 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.422 ' N ' HG21 ' A' ' 17' ' ' ILE . 1.8 t -148.16 78.87 9.34 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.298 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 4.03 5.08 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.51 1.795 . . . . 0.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -98.1 -15.13 20.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.232 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.493 HG11 ' CE1' ' A' ' 22' ' ' PHE . 47.5 t -113.79 -25.5 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.493 ' CE1' HG11 ' A' ' 21' ' ' VAL . 29.4 m-85 -139.59 122.22 16.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.478 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 6.2 tt0 -137.87 145.0 41.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.245 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.427 ' HB3' ' HA2' ' A' ' 28' ' ' GLY . 2.6 mtp -55.25 150.44 11.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 30' ' ' LYS . 12.7 p-10 -67.46 -155.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.74 -53.06 20.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 110.327 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -73.96 -5.28 40.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 110.262 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.457 ' N ' ' OD1' ' A' ' 25' ' ' ASN . . . 61.0 34.1 86.56 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.55 -2.66 8.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 25' ' ' ASN . 4.2 tptm -132.81 121.68 23.33 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.503 1.127 . . . . 1.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.89 100.93 3.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 33' ' ' VAL . 79.3 t -92.11 166.03 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.465 ' CG1' HD13 ' A' ' 2' ' ' ILE . 60.2 t -97.43 144.33 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -116.09 -31.37 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 1.0 109.277 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.471 ' C ' ' H ' ' A' ' 37' ' ' ASP . 3.1 t-20 -117.95 79.09 13.43 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.501 ' HA ' ' CD1' ' A' ' 2' ' ' ILE . 18.4 Cg_endo -74.97 38.39 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.455 1.766 . . . . 0.0 111.04 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.471 ' H ' ' C ' ' A' ' 35' ' ' ASN . 19.1 t0 172.55 43.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.223 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -164.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.473 1.108 . . . . 0.0 110.003 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -171.48 33.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.24 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.47 ' CD1' ' SG ' ' A' ' 42' ' ' CYS . 0.3 OUTLIER -113.11 -175.63 2.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 109.347 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 44' ' ' GLU . 10.1 t70 -98.77 -18.06 18.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.534 ' HA ' ' CG ' ' A' ' 45' ' ' GLU . 0.5 OUTLIER -42.63 -30.58 0.38 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.168 . . . . 0.0 108.294 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.44 HG13 ' CD1' ' A' ' 47' ' ' ILE . 21.4 t -62.33 -51.67 69.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.37 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 41' ' ' ASP . 6.6 mt-10 -55.5 -43.19 75.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.534 ' CG ' ' HA ' ' A' ' 42' ' ' CYS . 21.7 pt-20 -83.06 0.28 45.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -103.28 -20.0 14.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.467 ' CG1' HG21 ' A' ' 55' ' ' ILE . 1.0 OUTLIER -96.99 -40.09 9.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 1.0 109.326 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.54 -31.74 72.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.3 m -82.59 -7.83 59.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.449 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 48.1 t -88.3 112.9 52.65 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.397 1.061 . . . . 0.0 108.31 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -32.68 5.28 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.428 1.751 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -84.97 -7.2 59.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.449 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 1.1 mm-40 34.51 45.86 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.71 -21.9 40.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.085 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.467 HG21 ' CG1' ' A' ' 47' ' ' ILE . 7.1 mt -88.49 139.39 17.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 1.0 109.333 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.454 ' CG2' ' HB3' ' A' ' 3' ' ' GLU . 5.0 m -141.47 -178.33 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.643 ' O ' ' OXT' ' A' ' 58' ' ' SER . 0.8 OUTLIER -118.56 47.5 1.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 1.0 110.323 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.643 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 1.0 110.004 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.412 ' O ' ' OE2' ' A' ' 3' ' ' GLU . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.515 HD13 ' CG1' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -51.17 142.99 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 1.0 109.319 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.412 ' OE2' ' O ' ' A' ' 1' ' ' PRO . 3.3 mt-10 -135.19 142.88 46.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.334 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.425 ' O ' ' CG2' ' A' ' 4' ' ' VAL . 0.7 OUTLIER -103.89 15.68 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 60.3 -169.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -112.13 -28.35 8.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.356 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -60.16 -21.47 61.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.354 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.401 ' HB2' ' CB ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -55.78 157.99 3.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 108.348 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.435 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 5.4 mtt -108.64 -84.61 0.54 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 9' ' ' MET . . . 168.0 59.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.3 t -72.08 -29.82 64.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.143 . . . . 0.0 108.265 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 70.13 14.01 7.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.02 -49.26 59.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.4 ' O ' HG23 ' A' ' 17' ' ' ILE . 26.8 p -61.9 -31.58 71.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 108.304 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.5 t -75.44 -30.61 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.31 -10.04 59.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.475 ' CD1' ' HG3' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -103.06 -43.11 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 1.0 109.29 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -148.73 84.35 6.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 108.298 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.412 ' O ' ' CD1' ' A' ' 34' ' ' ILE . 18.2 Cg_endo -75.0 4.0 5.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.478 1.778 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.12 -10.79 22.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.403 ' C ' HG13 ' A' ' 34' ' ' ILE . 49.4 t -114.03 -34.1 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -136.34 121.08 18.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.485 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 4.8 tt0 -129.63 158.33 39.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.48 ' N ' ' CG ' ' A' ' 23' ' ' GLU . 0.4 OUTLIER -62.26 146.71 50.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.967 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.519 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 23.0 t30 -60.89 -144.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.519 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -81.52 -24.59 36.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.27 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -133.84 5.92 3.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.55 22.05 79.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -80.5 -4.77 55.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -167.85 148.6 5.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 1.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.415 ' N ' ' HG2' ' A' ' 30' ' ' LYS . . . -77.27 111.67 13.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -93.79 145.72 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.515 ' CG1' HD13 ' A' ' 2' ' ' ILE . 35.4 t -85.58 145.76 7.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.485 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -120.68 -33.54 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 1.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.488 ' C ' ' H ' ' A' ' 37' ' ' ASP . 2.9 t-20 -116.73 80.81 11.08 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.466 ' HA ' ' CD1' ' A' ' 2' ' ' ILE . 18.2 Cg_endo -75.0 35.09 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.461 1.769 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.488 ' H ' ' C ' ' A' ' 35' ' ' ASN . 48.0 t0 175.23 42.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.93 -162.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.038 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -170.59 32.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.503 ' CD1' ' HB2' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -123.65 169.13 11.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 44' ' ' GLU . 21.0 t70 -81.96 -1.73 49.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.516 ' O ' ' CB ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -52.45 -29.05 22.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 108.292 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.447 ' CG1' HD13 ' A' ' 47' ' ' ILE . 25.6 t -69.91 -30.25 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.9 mt-10 -74.34 -39.85 62.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.475 ' HG3' ' CD1' ' A' ' 17' ' ' ILE . 12.0 pt-20 -84.39 -27.6 27.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.256 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 42' ' ' CYS . . . -73.82 -23.41 59.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.447 HD13 ' CG1' ' A' ' 43' ' ' VAL . 5.6 mt -90.52 -50.84 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 1.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -57.18 -51.78 67.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.1 m -61.15 -17.27 52.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.986 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 15.9 t -88.09 113.61 55.69 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 108.29 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.55 9.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.439 1.758 . . . . 0.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -81.26 -7.92 59.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 52' ' ' ALA . 1.7 tt0 36.19 45.41 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.401 ' CB ' ' HB2' ' A' ' 8' ' ' CYS . . . -82.72 -12.31 57.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.408 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 2.5 mm -86.86 129.12 38.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 1.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -145.52 153.24 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.805 ' O ' ' OXT' ' A' ' 58' ' ' SER . 65.8 mtm-85 -87.74 43.22 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 1.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.805 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 2.4 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 1.0 109.991 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' F3S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.464 ' CG ' ' O ' ' A' ' 36' ' ' PRO . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 111.0 -0.423 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.518 ' CD1' ' O ' ' A' ' 35' ' ' ASN . 0.1 OUTLIER -137.94 108.69 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 1.0 109.285 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.71 150.8 39.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.279 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.8 p -114.83 140.19 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 54' ' ' ALA . 6.4 m-20 -78.81 -172.22 2.92 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -104.75 -14.82 15.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -28.52 69.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.6 t -55.06 145.84 19.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 108.273 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.438 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 4.3 mmt -98.5 -68.06 0.82 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 9' ' ' MET . . . 167.78 48.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.378 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 78.6 m -73.15 -37.79 66.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 108.352 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 58.66 25.17 12.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.174 . . . . 0.0 110.343 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.68 -49.11 61.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.466 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 1.7 m -63.12 -29.62 70.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 108.287 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.4 t -74.86 -32.81 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.91 -16.47 59.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.477 ' CD1' ' CD ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -103.43 -31.3 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 1.0 109.352 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.535 ' SG ' ' CG2' ' A' ' 21' ' ' VAL . 5.3 t -144.52 72.95 15.69 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 108.279 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 4.31 4.86 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.498 1.789 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.83 -11.39 18.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.378 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.535 ' CG2' ' SG ' ' A' ' 18' ' ' CYS . 69.6 t -115.52 -20.83 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.41 ' CE1' HG13 ' A' ' 21' ' ' VAL . 34.4 m-85 -139.0 134.82 33.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 110.963 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -149.92 136.22 18.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.422 ' HB3' ' HA2' ' A' ' 28' ' ' GLY . 0.9 OUTLIER -51.79 145.92 8.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 28' ' ' GLY . 11.6 p-10 -61.18 -155.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -70.27 -53.86 15.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.409 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 1.9 mm-40 -71.04 -14.04 62.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.342 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.487 ' N ' ' OD1' ' A' ' 25' ' ' ASN . . . 67.27 40.05 92.1 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.587 1.179 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.97 -12.23 12.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 0.776 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -136.65 137.64 40.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 1.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.77 96.22 9.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.249 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.4 t -83.21 146.08 7.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 74.0 t -77.48 137.02 23.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.476 HG13 ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -110.28 -32.44 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 1.0 109.208 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.518 ' O ' ' CD1' ' A' ' 2' ' ' ILE . 11.3 t-20 -113.04 92.18 20.62 Favored Pre-proline 0 C--N 1.323 -0.548 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.464 ' O ' ' CG ' ' A' ' 1' ' ' PRO . 18.2 Cg_endo -74.93 32.84 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.41 1.742 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.498 ' H ' ' C ' ' A' ' 35' ' ' ASN . 28.6 t70 177.26 40.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.503 ' OG ' ' CD1' ' A' ' 40' ' ' LEU . 12.5 t -31.42 -69.37 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.01 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.406 ' CB ' ' O ' ' A' ' 38' ' ' SER . 9.0 t70 75.74 9.63 3.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.503 ' CD1' ' OG ' ' A' ' 38' ' ' SER . 0.7 OUTLIER -85.99 -144.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 41' ' ' ASP . 8.9 t70 -140.37 13.38 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.401 ' SG ' HD11 ' A' ' 40' ' ' LEU . 27.6 p -95.81 -10.64 28.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 108.235 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.433 HG11 ' CD1' ' A' ' 47' ' ' ILE . 71.3 t -69.43 -35.47 67.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.34 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.51 -41.35 96.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.477 ' CD ' ' CD1' ' A' ' 17' ' ' ILE . 18.6 pt-20 -81.34 -8.37 59.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.253 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.466 ' CB ' ' HB3' ' A' ' 14' ' ' CYS . . . -95.42 -13.44 24.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.433 ' CD1' HG11 ' A' ' 43' ' ' VAL . 3.6 mt -105.39 -47.72 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 1.0 109.226 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.33 -43.22 96.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.1 m -71.67 -9.05 57.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 110.006 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.509 ' SG ' ' CD1' ' A' ' 55' ' ' ILE . 49.3 t -87.4 113.99 56.64 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.315 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -32.03 5.79 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -88.93 -8.69 53.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 109.347 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 52' ' ' ALA . 41.0 mt-10 37.73 50.56 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.402 ' O ' ' OD1' ' A' ' 5' ' ' ASN . . . -77.45 -10.7 59.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.509 ' CD1' ' SG ' ' A' ' 50' ' ' CYS . 3.8 mp -87.02 110.52 20.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 1.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.1 m -113.83 165.65 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.461 ' O ' ' OXT' ' A' ' 58' ' ' SER . 0.1 OUTLIER -90.31 35.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 1.0 110.301 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.461 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 1.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' F3S . . . . . 0.449 ' S3 ' ' CD1' ' A' ' 55' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.416 ' HG3' ' O ' ' A' ' 36' ' ' PRO . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.908 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.522 ' CD1' ' HA ' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -130.74 158.45 43.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 1.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 55' ' ' ILE . 10.9 tt0 -148.92 141.85 24.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.264 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.415 ' O ' ' HB2' ' A' ' 5' ' ' ASN . 7.4 p -107.61 -23.8 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 4' ' ' VAL . 76.4 m-20 63.97 -171.12 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -107.63 -6.05 17.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -67.28 -39.65 86.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.469 ' SG ' ' N ' ' A' ' 9' ' ' MET . 0.8 OUTLIER -47.98 162.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 108.291 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.469 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.0 OUTLIER -103.01 -77.36 0.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 111.012 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 9' ' ' MET . . . 168.8 41.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 m -66.51 -37.33 84.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 108.329 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.41 ' CD ' ' CG ' ' A' ' 24' ' ' MET . 1.3 mt-10 58.85 17.93 5.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.358 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.68 -47.38 72.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -61.91 -31.51 71.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 108.303 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 66.6 t -75.7 -29.82 20.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.261 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.77 9.98 3.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 110.262 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.468 HG21 ' N ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -133.95 -43.66 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.579 1.174 . . . . 1.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.468 ' N ' HG21 ' A' ' 17' ' ' ILE . 1.4 t -125.29 74.14 67.7 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 108.291 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HD3' ' C ' ' A' ' 17' ' ' ILE . 18.4 Cg_endo -75.05 2.1 7.03 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.569 1.826 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -101.17 -11.92 19.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.241 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.462 ' C ' HG13 ' A' ' 34' ' ' ILE . 62.8 t -112.35 -26.44 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -139.05 133.84 32.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -141.19 136.87 32.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.322 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.422 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -40.92 153.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 111.042 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.612 ' OD1' ' N ' ' A' ' 28' ' ' GLY . 20.0 p-10 -91.48 -150.85 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.518 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 2.4 tt0 -43.44 -36.11 1.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.265 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.453 ' CG ' ' C ' ' A' ' 26' ' ' GLU . 4.3 mt-10 -154.56 31.07 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.612 ' N ' ' OD1' ' A' ' 25' ' ' ASN . . . 69.08 11.14 63.22 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -58.04 -17.18 16.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 109.296 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.7 pttt -167.33 109.2 0.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 1.0 109.266 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.75 104.62 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.441 HG22 ' CA ' ' A' ' 25' ' ' ASN . 53.2 t -76.08 169.96 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.438 ' CG1' ' CD1' ' A' ' 2' ' ' ILE . 59.6 t -105.24 141.98 19.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.462 HG13 ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -118.72 -31.01 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.523 1.139 . . . . 1.0 109.318 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.664 ' ND2' ' HG ' ' A' ' 38' ' ' SER . 21.2 t-20 -115.51 82.29 9.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.522 ' HA ' ' CD1' ' A' ' 2' ' ' ILE . 18.2 Cg_endo -74.94 37.58 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.515 1.797 . . . . 0.0 110.968 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.465 ' H ' ' C ' ' A' ' 35' ' ' ASN . 34.6 t0 179.17 40.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.366 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.664 ' HG ' ' ND2' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -83.43 -76.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.963 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 t0 40.25 46.38 1.93 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 1.157 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.458 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 2.5 pp -108.97 44.16 1.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 44' ' ' GLU . 18.0 t0 79.49 -51.35 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.9 t -43.33 -30.39 0.51 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 108.237 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.429 ' N ' ' C ' ' A' ' 41' ' ' ASP . 2.5 t -76.47 -46.4 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 41' ' ' ASP . 8.3 mt-10 -56.86 -32.92 66.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.356 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -89.24 -4.59 58.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.335 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.73 -15.8 17.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.471 ' CG1' ' CG2' ' A' ' 55' ' ' ILE . 6.0 mt -99.43 -36.07 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 1.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -65.34 -19.64 66.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.44 ' O ' ' HD3' ' A' ' 51' ' ' PRO . 48.7 m -99.73 -1.03 38.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 110.053 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 53.8 t -88.68 111.64 45.43 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.455 1.097 . . . . 0.0 108.328 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' A' ' 49' ' ' SER . 18.3 Cg_endo -75.01 -32.51 5.3 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.468 1.772 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -85.82 -6.68 59.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.24 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.45 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 4.0 tt0 38.22 38.45 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.85 -9.74 58.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.471 ' CG2' ' CG1' ' A' ' 47' ' ' ILE . 1.0 OUTLIER -85.46 119.7 34.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.61 1.194 . . . . 1.0 109.332 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.49 162.03 36.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.87 48.87 1.14 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.542 1.151 . . . . 1.0 110.323 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 1.0 109.981 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' F3S . . . . . 0.462 ' S3 ' ' CG1' ' A' ' 55' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 1.039 ' HA ' ' OXT' ' A' ' 58' ' ' SER . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.917 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.502 ' CG2' ' O ' ' A' ' 2' ' ' ILE . 2.0 mp -81.08 73.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 1.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.481 ' CB ' HG22 ' A' ' 33' ' ' VAL . 11.3 mt-10 -135.31 -156.13 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.467 ' CG1' ' CG1' ' A' ' 55' ' ' ILE . 0.4 OUTLIER -127.36 -104.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.478 ' N ' ' OD1' ' A' ' 5' ' ' ASN . 0.2 OUTLIER 178.01 -171.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -93.56 3.51 55.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.338 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.9 -41.72 11.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.597 1.186 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -45.38 162.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 108.242 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.457 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -106.69 -86.35 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' A' ' 9' ' ' MET . . . 166.5 61.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.392 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 12' ' ' GLU . 1.8 t -72.22 -30.09 64.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 108.275 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.497 ' OE2' ' CG ' ' A' ' 24' ' ' MET . 1.2 tt0 73.14 10.68 5.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 110.284 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.09 -49.39 51.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.3 p -56.6 -42.15 78.24 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 0.0 108.244 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 51.2 t -71.45 -30.39 39.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.338 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -85.0 41.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.323 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -170.37 -40.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 1.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.495 ' SG ' ' CG2' ' A' ' 21' ' ' VAL . 1.7 t -132.7 68.03 78.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 108.234 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 0.81 8.48 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.405 1.739 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.35 -0.43 43.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.542 HG13 ' CZ ' ' A' ' 22' ' ' PHE . 44.3 t -124.5 -38.82 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.542 ' CZ ' HG13 ' A' ' 21' ' ' VAL . 18.6 m-85 -130.19 121.62 26.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 111.071 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 24' ' ' MET . 4.7 tt0 -126.44 143.47 51.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.497 ' CG ' ' OE2' ' A' ' 12' ' ' GLU . 1.4 mtp -40.43 163.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.643 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 28.9 t30 -84.69 -149.18 0.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.643 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 3.9 tt0 -66.7 -22.44 66.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.417 ' CG ' ' C ' ' A' ' 26' ' ' GLU . 3.0 mt-10 -152.17 19.14 0.66 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.406 ' HA2' ' HB3' ' A' ' 24' ' ' MET . . . 77.51 12.86 84.13 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.488 1.118 . . . . 0.0 111.018 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -62.82 -14.95 51.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.763 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -167.83 161.0 12.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 1.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.06 104.83 17.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.498 ' CG2' ' OD1' ' A' ' 25' ' ' ASN . 78.2 t -77.86 154.34 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.481 HG22 ' CB ' ' A' ' 3' ' ' GLU . 68.8 t -102.84 132.51 48.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.122 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.93 -35.06 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 1.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.499 ' C ' ' H ' ' A' ' 37' ' ' ASP . 5.5 t-20 -114.71 91.18 24.55 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 26.25 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.801 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.499 ' H ' ' C ' ' A' ' 35' ' ' ASN . 16.5 t0 178.41 39.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 39' ' ' ASP . 8.5 t -36.49 -72.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.047 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER 79.72 1.94 2.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 109.371 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.424 ' CD1' ' OG ' ' A' ' 38' ' ' SER . 14.2 mt -66.87 -141.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -134.28 10.48 3.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.9 p -102.16 -22.66 14.16 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.528 1.143 . . . . 0.0 108.313 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.421 ' CG2' ' HB3' ' A' ' 38' ' ' SER . 2.7 t -59.81 -42.3 88.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -66.27 -16.73 64.26 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.561 1.163 . . . . 0.0 110.306 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 49' ' ' SER . 3.6 mm-40 -86.82 -33.96 19.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.285 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.81 -25.15 67.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.3 mt -88.37 -54.63 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 1.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.02 -20.18 56.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.47 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 67.8 m -94.79 -23.83 17.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.031 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.5 t -88.59 113.45 55.62 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.094 . . . . 0.0 108.223 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -23.42 13.86 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.529 1.805 . . . . 0.0 110.971 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.37 -11.12 57.97 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 38.43 37.02 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.35 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.442 ' O ' ' HA ' ' A' ' 4' ' ' VAL . . . -77.27 -10.93 59.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.467 ' CG1' ' CG1' ' A' ' 4' ' ' VAL . 3.7 mt -83.74 119.77 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 1.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.9 m -123.01 151.99 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' SER . 13.4 ptt-85 -100.82 40.48 1.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.17 . . . . 1.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 1.039 ' OXT' ' HA ' ' A' ' 1' ' ' PRO . 41.5 t . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 1.0 109.957 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' F3S . . . . . 0.448 ' S3 ' ' CG1' ' A' ' 55' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.446 ' HG3' ' O ' ' A' ' 36' ' ' PRO . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.924 0 N-CA-C 111.033 -0.41 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.504 HD13 ' CG1' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -78.85 134.62 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 1.0 109.313 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.42 152.93 48.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.9 p -108.88 -2.41 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.1 m120 62.12 -169.71 0.17 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -119.01 -42.89 2.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.83 -28.7 2.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.411 1.07 . . . . 0.0 109.256 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.457 ' SG ' ' N ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -53.26 161.0 0.99 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.492 1.12 . . . . 0.0 108.232 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.488 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 18.5 ttm -100.45 -85.05 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 111.065 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 9' ' ' MET . . . 163.06 51.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.28 -29.85 64.28 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.571 1.169 . . . . 0.0 108.276 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 70.31 24.86 4.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.65 -50.78 40.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.426 ' O ' HG23 ' A' ' 17' ' ' ILE . 25.3 p -63.28 -30.39 71.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 108.366 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 90.8 t -74.6 -30.05 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -78.58 -17.81 55.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.475 ' CD1' ' HG3' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -95.44 -43.05 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 1.0 109.309 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 t -139.4 77.69 28.83 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 108.25 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 3.54 5.49 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.588 1.836 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.63 -13.29 19.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.435 HG13 ' CZ ' ' A' ' 22' ' ' PHE . 94.4 t -112.92 -27.39 2.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.435 ' CZ ' HG13 ' A' ' 21' ' ' VAL . 29.9 m-85 -136.48 117.74 14.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.471 ' CG ' ' N ' ' A' ' 24' ' ' MET . 3.9 tt0 -124.13 157.85 33.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 110.227 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.495 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -58.51 145.87 37.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.628 ' OD1' ' N ' ' A' ' 29' ' ' ASP . 9.5 p-10 -79.03 -150.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.36 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.43 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 3.0 tt0 -55.35 -48.73 73.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -121.04 20.99 11.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.565 ' N ' ' OD1' ' A' ' 25' ' ' ASN . . . 55.19 20.19 20.13 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.628 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 1.5 t70 -76.43 -7.63 55.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 0.801 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -159.43 120.56 3.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 1.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.41 109.27 0.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.1 t -86.24 155.63 3.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 109.342 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.504 ' CG1' HD13 ' A' ' 2' ' ' ILE . 46.3 t -93.24 137.79 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.42 HG13 ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -113.01 -30.69 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.413 1.07 . . . . 1.0 109.334 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.477 ' C ' ' H ' ' A' ' 37' ' ' ASP . 5.9 t-20 -115.94 81.76 10.2 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.5 ' HA ' ' CD1' ' A' ' 2' ' ' ILE . 18.2 Cg_endo -75.05 37.36 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.479 1.778 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.477 ' H ' ' C ' ' A' ' 35' ' ' ASN . 36.1 t70 174.06 44.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.43 -163.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 109.946 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -171.47 32.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 109.255 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.456 ' CD1' ' SG ' ' A' ' 42' ' ' CYS . 0.3 OUTLIER -115.61 -171.01 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.901 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 44' ' ' GLU . 13.3 t70 -104.51 -11.2 17.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.229 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -51.8 -29.01 17.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 108.298 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.42 HG13 ' NE ' ' A' ' 57' ' ' ARG . 80.4 t -67.35 -27.73 39.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.7 tt0 -77.16 -42.96 35.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.33 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.475 ' HG3' ' CD1' ' A' ' 17' ' ' ILE . 3.5 pt-20 -82.24 -16.04 50.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 42' ' ' CYS . . . -86.62 -14.35 42.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.469 HG13 ' CG2' ' A' ' 55' ' ' ILE . 0.5 OUTLIER -102.48 -46.04 10.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 1.0 109.243 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.61 -29.47 70.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.37 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.0 m -81.82 -9.24 59.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.024 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 29.0 t -88.36 113.08 53.73 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.431 1.082 . . . . 0.0 108.254 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -31.93 5.73 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.48 1.779 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.39 -6.49 58.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.452 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 2.6 tp10 38.9 34.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.33 -18.59 57.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.393 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.469 ' CG2' HG13 ' A' ' 47' ' ' ILE . 1.0 OUTLIER -88.68 120.27 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 1.0 109.379 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -125.13 -178.96 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.914 ' O ' ' OXT' ' A' ' 58' ' ' SER . 9.4 mtt180 -121.83 43.22 2.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.414 1.071 . . . . 1.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.914 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 18.9 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 1.0 109.968 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' F3S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.492 ' HB3' ' CB ' ' A' ' 36' ' ' PRO . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.918 0 N-CA-C 111.012 -0.418 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.576 ' CD1' ' O ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -55.68 -172.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 1.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.457 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . 4.9 tt0 -134.43 148.06 50.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.427 ' O ' ' CG2' ' A' ' 4' ' ' VAL . 2.7 p -134.31 9.96 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 4' ' ' VAL . 24.9 m-20 46.02 -170.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -119.85 -30.42 4.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.416 1.073 . . . . 0.0 109.349 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.02 -19.12 40.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.429 ' SG ' ' N ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -55.68 159.69 2.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 108.315 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.429 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.3 mtp -108.11 -92.68 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 173.59 41.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.7 t -61.75 -29.84 70.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 108.319 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 71.71 26.29 3.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.15 -48.92 55.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.503 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . 10.6 p -62.28 -34.49 76.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 108.298 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.453 ' CG1' ' HA ' ' A' ' 23' ' ' GLU . 25.3 t -74.64 -29.29 23.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -86.3 27.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 110.345 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.513 ' C ' ' CD1' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -148.41 -46.55 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 1.0 109.241 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.487 ' N ' HG21 ' A' ' 17' ' ' ILE . 3.9 t -135.51 83.5 36.82 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 108.237 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.513 ' O ' ' CD1' ' A' ' 34' ' ' ILE . 18.6 Cg_endo -74.98 7.9 2.65 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.538 1.809 . . . . 0.0 111.023 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -108.75 -7.62 15.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.582 HG11 ' CE1' ' A' ' 22' ' ' PHE . 71.9 t -116.43 -34.72 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.582 ' CE1' HG11 ' A' ' 21' ' ' VAL . 17.9 m-85 -141.35 125.51 17.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 111.054 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.501 ' O ' ' CG1' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -147.4 141.73 26.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.077 . . . . 0.0 110.328 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.449 ' C ' ' O ' ' A' ' 23' ' ' GLU . 2.0 mtm -33.94 142.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 30' ' ' LYS . 11.8 p-10 -70.64 -156.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.259 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -52.1 53.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.266 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.424 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 2.3 mm-40 -80.34 -3.4 49.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.473 ' N ' ' OD1' ' A' ' 25' ' ' ASN . . . 60.46 32.15 76.71 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.524 1.14 . . . . 0.0 111.059 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 1.1 t0 -112.37 -10.65 13.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.761 . . . . 0.0 109.387 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 25' ' ' ASN . 10.2 mtmm -137.4 128.46 27.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 1.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.61 95.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 23' ' ' GLU . 3.5 p -76.1 160.7 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.421 HG12 ' CD1' ' A' ' 2' ' ' ILE . 79.8 t -96.21 137.09 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.513 ' CD1' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -111.46 -26.79 3.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.431 1.082 . . . . 1.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.576 ' O ' ' CD1' ' A' ' 2' ' ' ILE . 16.8 t-20 -113.14 89.35 13.97 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.492 ' CB ' ' HB3' ' A' ' 1' ' ' PRO . 18.3 Cg_endo -74.99 28.56 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.435 1.755 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.5 ' H ' ' C ' ' A' ' 35' ' ' ASN . 33.1 t70 -172.73 34.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.1 t -50.75 -95.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.991 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 57.52 22.24 7.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.559 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 2.7 pp -94.85 22.24 6.66 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 40' ' ' LEU . 4.8 t70 87.11 -37.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.512 ' HA ' ' CG ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -41.66 -35.9 0.85 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.09 . . . . 0.0 108.282 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.471 ' CG1' HD13 ' A' ' 47' ' ' ILE . 2.2 t -68.96 -48.34 70.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.357 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -57.71 -28.18 63.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.512 ' CG ' ' HA ' ' A' ' 42' ' ' CYS . 12.1 pt-20 -98.04 -14.7 20.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.348 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 42' ' ' CYS . . . -93.06 -22.33 19.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.471 HD13 ' CG1' ' A' ' 43' ' ' VAL . 20.2 mt -87.88 -40.82 13.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 1.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.09 -26.4 68.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.4 ' O ' ' HD3' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -86.98 -15.32 39.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.079 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 34.9 t -84.92 113.31 49.06 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 108.323 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 49' ' ' SER . 18.3 Cg_endo -74.97 -32.54 5.34 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.528 1.804 . . . . 0.0 111.061 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -81.4 -6.78 59.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 52' ' ' ALA . 3.2 pt-20 34.17 45.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.327 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.65 -20.52 31.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.228 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.459 ' CG2' ' S3 ' ' A' ' 59' ' ' F3S . 3.0 pt -91.82 129.98 41.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 1.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.457 ' CG2' ' HB3' ' A' ' 3' ' ' GLU . 3.2 m -143.2 -175.28 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 58' ' ' SER . 7.0 ptm180 -125.19 43.96 2.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 1.0 110.33 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 57' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 1.0 110.035 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' F3S . . . . . 0.459 ' S3 ' ' CG2' ' A' ' 55' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.522 ' CG ' ' O ' ' A' ' 36' ' ' PRO . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.951 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.489 HD13 ' CG1' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -117.07 121.48 67.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 1.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.469 ' CG ' ' C ' ' A' ' 2' ' ' ILE . 0.2 OUTLIER -159.96 -179.45 7.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 55' ' ' ILE . 33.7 m -130.86 -162.59 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.94 -159.19 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -100.66 11.54 39.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.04 -34.44 12.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -51.33 157.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 108.32 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 7.9 mtt -102.88 -93.52 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 170.98 41.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.082 . . . . 0.0 109.307 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.87 -28.97 67.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 108.293 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 69.91 30.91 3.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 0.0 110.259 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.33 -48.29 61.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 10.2 p -62.16 -33.94 75.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 108.354 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 75.9 t -74.12 -29.6 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -83.93 38.39 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.435 HG21 ' N ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER -165.88 -42.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 1.0 109.328 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.435 ' N ' HG21 ' A' ' 17' ' ' ILE . 1.1 t -135.18 71.85 67.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.616 1.197 . . . . 0.0 108.214 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 2.66 6.36 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.526 1.803 . . . . 0.0 111.019 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.52 -9.67 29.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.502 HG13 ' CE1' ' A' ' 22' ' ' PHE . 85.6 t -119.79 -34.3 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.546 ' CE1' HD13 ' A' ' 55' ' ' ILE . 24.5 m-85 -132.55 125.3 30.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.513 ' CB ' ' CD1' ' A' ' 34' ' ' ILE . 9.4 tp10 -137.62 150.56 47.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.426 ' O ' ' O ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -51.43 150.54 3.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.969 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.543 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 28.4 t30 -60.83 -143.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.543 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -85.82 -22.0 27.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.233 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -140.35 11.7 2.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 1.081 . . . . 0.0 110.291 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.93 13.65 83.43 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.485 1.116 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.28 -15.31 15.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 0.75 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -179.28 159.36 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 1.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.59 114.33 17.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.377 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' ' 23' ' ' GLU . 7.2 p -97.86 162.98 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.489 ' CG1' HD13 ' A' ' 2' ' ' ILE . 52.5 t -94.51 146.4 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.245 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.513 ' CD1' ' CB ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -119.65 -35.35 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 1.0 109.325 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.467 ' C ' ' H ' ' A' ' 37' ' ' ASP . 3.3 t-20 -117.41 79.72 12.11 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.409 1.068 . . . . 0.0 109.389 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.522 ' O ' ' CG ' ' A' ' 1' ' ' PRO . 18.1 Cg_endo -75.04 39.09 0.57 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.485 1.781 . . . . 0.0 110.955 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.47 ' HB2' ' O ' ' A' ' 36' ' ' PRO . 52.2 t0 170.79 42.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.77 -165.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -171.79 33.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.463 ' CD2' ' SG ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -94.19 -168.61 1.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.589 1.181 . . . . 0.0 109.262 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -115.11 1.7 13.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.253 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.463 ' SG ' ' CD2' ' A' ' 40' ' ' LEU . 5.5 p -88.93 12.29 15.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 108.355 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.419 ' CG2' ' CD1' ' A' ' 40' ' ' LEU . 3.9 t -90.6 -34.42 6.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.4 -38.07 63.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 0.0 110.337 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -81.91 -13.2 57.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.19 -20.27 24.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mp -96.56 -41.37 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 1.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.35 -31.71 72.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.3 m -74.9 -9.42 58.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.962 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.459 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 40.7 t -86.65 113.2 51.72 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 108.377 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -32.21 5.49 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.791 . . . . 0.0 110.938 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -84.79 -6.34 59.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.459 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 5.2 pt-20 37.73 35.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.69 -17.83 57.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.546 HD13 ' CE1' ' A' ' 22' ' ' PHE . 5.7 tt -87.9 104.62 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 1.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.6 m -104.99 154.89 6.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.953 ' O ' ' OXT' ' A' ' 58' ' ' SER . 83.8 mtm180 -104.99 48.13 0.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 1.0 110.336 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.953 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 1.0 110.033 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' F3S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.479 ' HB3' ' CB ' ' A' ' 36' ' ' PRO . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.929 0 N-CA-C 110.997 -0.424 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.56 ' CD1' ' O ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -55.46 -176.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 1.0 109.28 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.461 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . 22.9 tp10 -135.64 149.91 49.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.595 1.184 . . . . 0.0 110.352 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.6 p -158.77 97.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.496 ' OD1' ' CB ' ' A' ' 54' ' ' ALA . 0.9 OUTLIER -53.83 -172.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.434 ' C ' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -102.66 -32.99 9.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 6' ' ' ASP . 48.5 m-20 -39.07 -31.63 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.463 ' HB2' ' CB ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -52.45 156.58 1.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 108.269 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.457 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -104.81 -82.94 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 111.04 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' A' ' 9' ' ' MET . . . 166.83 62.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.414 1.072 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.6 t -70.2 -40.24 74.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 108.343 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 78.49 6.94 2.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.175 . . . . 0.0 110.265 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.17 -48.93 60.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.5 p -61.64 -31.83 71.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 108.263 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 82.2 t -75.83 -30.96 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.69 -7.64 59.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 110.268 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.502 ' CD1' ' OE2' ' A' ' 45' ' ' GLU . 0.3 OUTLIER -110.34 -28.66 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 1.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.47 ' SG ' ' CG2' ' A' ' 21' ' ' VAL . 2.0 t -151.1 75.26 8.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 108.282 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.484 ' O ' ' CD1' ' A' ' 34' ' ' ILE . 18.5 Cg_endo -75.01 5.79 3.78 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 0.7 OUTLIER -104.13 -13.79 16.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.592 1.182 . . . . 0.0 109.26 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.561 HG11 ' CE1' ' A' ' 22' ' ' PHE . 93.3 t -112.95 -24.72 3.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.561 ' CE1' HG11 ' A' ' 21' ' ' VAL . 9.6 m-85 -145.69 122.8 11.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 24' ' ' MET . 9.1 tt0 -134.0 134.04 42.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.415 1.072 . . . . 0.0 110.326 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -35.32 151.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 111.043 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.558 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 29.7 t30 -63.64 -143.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.558 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -83.59 -21.63 32.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 110.291 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -144.62 15.38 1.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.243 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.35 13.46 76.44 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.0 -20.63 54.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 0.778 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -178.1 162.45 1.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 1.0 109.251 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.55 106.06 17.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 109.38 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.491 ' CG2' ' OD1' ' A' ' 25' ' ' ASN . 87.0 t -81.28 152.8 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.4 t -88.39 135.95 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -113.03 -28.96 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 1.0 109.334 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.56 ' O ' ' CD1' ' A' ' 2' ' ' ILE . 13.4 t-20 -112.84 90.26 15.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 0.0 109.366 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.479 ' CB ' ' HB3' ' A' ' 1' ' ' PRO . 18.5 Cg_endo -74.91 25.92 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.781 . . . . 0.0 111.076 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.508 ' O ' ' C ' ' A' ' 38' ' ' SER . 28.8 t70 -174.11 38.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.534 ' OG ' ' N ' ' A' ' 39' ' ' ASP . 0.2 OUTLIER -31.03 -87.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.596 1.185 . . . . 0.0 110.031 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.534 ' N ' ' OG ' ' A' ' 38' ' ' SER . 2.2 t0 81.61 24.87 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.549 ' CD1' ' SG ' ' A' ' 42' ' ' CYS . 0.4 OUTLIER -119.08 177.7 4.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -94.58 49.14 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.549 ' SG ' ' CD1' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -115.59 -25.73 7.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 108.279 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.9 t -73.52 -33.47 39.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.29 -33.17 69.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.251 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.502 ' OE2' ' CD1' ' A' ' 17' ' ' ILE . 14.5 pt-20 -91.33 -21.23 21.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 42' ' ' CYS . . . -82.52 -27.73 31.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 109.359 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.6 mt -82.75 -48.63 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 1.0 109.323 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.23 -38.1 76.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.227 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.5 m -75.01 -21.96 58.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.97 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 19.0 t -88.03 113.73 56.16 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 108.29 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -30.42 7.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.773 . . . . 0.0 111.037 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.485 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -81.39 -6.78 59.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 52' ' ' ALA . 3.9 pm0 31.84 48.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.266 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.496 ' CB ' ' OD1' ' A' ' 5' ' ' ASN . . . -78.1 -23.09 48.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.2 pt -92.02 129.29 42.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 1.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 3' ' ' GLU . 6.3 m -138.74 162.04 29.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 58' ' ' SER . 0.5 OUTLIER -119.35 45.15 2.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 1.0 110.326 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 57' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.365 1.041 . . . . 1.0 109.989 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' F3S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.561 ' CG ' ' O ' ' A' ' 36' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.933 0 N-CA-C 111.047 -0.405 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.551 HG13 ' CG2' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -44.17 165.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 1.0 109.33 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.435 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . 2.2 tp10 -164.43 143.59 7.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -114.94 155.12 16.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.486 ' HB2' ' CB ' ' A' ' 54' ' ' ALA . 1.5 t-20 -91.95 -148.16 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -125.13 -42.16 2.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -63.72 -32.86 74.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.467 ' HB2' ' CB ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -45.42 141.34 2.67 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 108.278 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.483 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 35.0 mtt -107.25 -70.62 0.79 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 9' ' ' MET . . . 164.57 67.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.98 -33.78 68.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 108.262 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.435 ' CA ' HG23 ' A' ' 15' ' ' VAL . 2.2 mt-10 68.25 9.01 6.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.7 -38.73 73.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 18.3 p -62.54 -42.19 99.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 108.283 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.435 HG23 ' CA ' ' A' ' 12' ' ' GLU . 4.9 m -72.77 -31.36 36.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.561 1.163 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.43 ' N ' HG21 ' A' ' 15' ' ' VAL . 0.5 OUTLIER -64.15 -33.36 75.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.436 HG23 ' N ' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -88.14 -42.99 15.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 1.0 109.303 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.501 ' SG ' ' CG2' ' A' ' 21' ' ' VAL . 2.7 t -126.08 74.27 71.91 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 108.276 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 1.99 7.13 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.441 1.758 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.3 -11.86 18.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.407 1.067 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.501 ' CG2' ' SG ' ' A' ' 18' ' ' CYS . 55.5 t -113.22 -23.36 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.438 ' CE1' HG11 ' A' ' 21' ' ' VAL . 39.7 m-85 -142.43 141.37 32.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -146.58 130.33 17.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.18 . . . . 0.0 110.282 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -39.23 151.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 111.038 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.554 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 21.3 t30 -66.64 -147.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.351 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.554 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 2.2 tt0 -74.67 -24.9 58.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.165 . . . . 0.0 110.284 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -142.06 11.32 1.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.79 25.81 68.67 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.449 1.093 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.29 -12.72 59.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 0.718 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.49 104.81 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 1.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.85 117.77 1.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.448 ' CG2' ' OD1' ' A' ' 25' ' ' ASN . 60.1 t -91.58 170.31 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.551 ' CG2' HG13 ' A' ' 2' ' ' ILE . 85.9 t -112.37 131.9 62.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.405 HG13 ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -99.08 -33.03 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 1.0 109.322 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.479 ' C ' ' H ' ' A' ' 37' ' ' ASP . 4.4 t-20 -116.59 82.15 12.18 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.571 1.17 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.561 ' O ' ' CG ' ' A' ' 1' ' ' PRO . 18.5 Cg_endo -74.95 36.87 0.45 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.546 1.814 . . . . 0.0 110.961 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.479 ' H ' ' C ' ' A' ' 35' ' ' ASN . 24.0 t70 170.97 41.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 109.348 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.03 -167.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 109.96 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -171.22 32.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.28 -148.47 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -137.48 12.15 2.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.394 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.3 p -87.41 -16.11 35.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 108.28 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.1 t -77.47 -28.14 15.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -68.57 -27.29 65.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 110.276 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 49' ' ' SER . 0.4 OUTLIER -84.88 -32.53 23.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.436 ' N ' HG23 ' A' ' 17' ' ' ILE . . . -65.38 -24.93 67.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -88.22 -53.65 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 1.0 109.271 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.1 -18.12 59.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 61.6 m -97.24 -19.99 18.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.03 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.469 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 15.9 t -83.59 113.12 44.85 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 108.281 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 49' ' ' SER . 18.2 Cg_endo -74.97 -32.08 5.73 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.483 1.78 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -80.76 -5.9 57.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.287 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.469 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 0.1 OUTLIER 36.65 34.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.486 ' CB ' ' HB2' ' A' ' 5' ' ' ASN . . . -77.45 -23.33 50.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.507 ' CG1' ' S3 ' ' A' ' 59' ' ' F3S . 0.3 OUTLIER -93.22 110.48 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 1.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.435 ' CG2' ' HB3' ' A' ' 3' ' ' GLU . 17.4 m -124.0 173.38 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.332 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 58' ' ' SER . 14.1 ptm180 -122.35 42.17 3.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.137 . . . . 1.0 110.233 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 57' ' ' ARG . 31.4 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 1.0 109.979 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' F3S . . . . . 0.507 ' S3 ' ' CG1' ' A' ' 55' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.942 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.512 HD12 ' O ' ' A' ' 35' ' ' ASN . 0.1 OUTLIER -132.96 103.28 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 1.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.24 -165.47 1.97 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.105 . . . . 0.0 110.333 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.451 ' CG1' ' HA ' ' A' ' 55' ' ' ILE . 2.7 m -130.62 -110.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.498 ' N ' ' OD1' ' A' ' 5' ' ' ASN . 0.2 OUTLIER 175.82 -171.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.58 -37.75 49.84 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -44.22 -51.07 8.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 9' ' ' MET . 0.1 OUTLIER -50.12 160.39 0.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 108.302 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.454 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 12.3 ttm -100.54 -88.31 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 110.985 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.435 ' N ' ' HG2' ' A' ' 9' ' ' MET . . . 174.14 41.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.67 -26.93 67.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 108.283 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.472 ' CA ' HG23 ' A' ' 15' ' ' VAL . 82.3 mt-10 59.36 17.97 6.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.62 -49.58 52.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 p -52.75 -42.32 64.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 108.3 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.472 HG23 ' CA ' ' A' ' 12' ' ' GLU . 3.6 m -73.29 -29.23 27.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 109.33 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.433 ' N ' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -67.51 -14.86 63.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.316 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.444 HG21 ' N ' ' A' ' 18' ' ' CYS . 0.2 OUTLIER -108.48 -37.7 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 1.0 109.335 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.444 ' N ' HG21 ' A' ' 17' ' ' ILE . 0.5 OUTLIER -134.48 71.79 71.01 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.578 1.174 . . . . 0.0 108.254 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 3.95 5.14 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.499 1.789 . . . . 0.0 110.988 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -97.94 -13.02 21.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.578 HG13 ' CE1' ' A' ' 22' ' ' PHE . 61.0 t -114.09 -28.52 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.393 1.058 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.578 ' CE1' HG13 ' A' ' 21' ' ' VAL . 12.9 m-85 -135.36 137.73 42.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.082 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 24' ' ' MET . 0.0 OUTLIER -146.28 139.91 26.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 110.302 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.419 ' N ' ' HG2' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -41.74 142.06 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.531 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 21.3 t30 -61.94 -147.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.531 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 2.8 tt0 -74.19 -25.63 59.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.606 1.191 . . . . 0.0 110.249 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -135.44 6.19 3.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.406 ' HA2' ' HB3' ' A' ' 24' ' ' MET . . . 73.19 23.25 77.94 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.16 -7.52 54.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 0.741 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -171.62 133.01 0.76 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 1.0 109.232 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.83 112.43 1.64 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -82.48 160.17 3.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.42 ' CG2' ' O ' ' A' ' 2' ' ' ILE . 87.5 t -110.6 129.39 65.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.433 HG13 ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -104.72 -39.81 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 1.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.512 ' O ' HD12 ' A' ' 2' ' ' ILE . 6.9 t-20 -116.26 86.38 17.41 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.411 ' C ' HD12 ' A' ' 2' ' ' ILE . 18.5 Cg_endo -74.99 29.76 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.479 1.778 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.504 ' H ' ' C ' ' A' ' 35' ' ' ASN . 31.8 t70 -177.87 48.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.12 -161.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.012 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -171.38 32.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.532 ' CD2' ' SG ' ' A' ' 42' ' ' CYS . 0.3 OUTLIER -107.38 -169.07 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -115.24 15.87 16.92 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.532 ' SG ' ' CD2' ' A' ' 40' ' ' LEU . 4.6 p -102.05 17.84 22.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.272 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.0 t -103.09 -26.92 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -85.72 -23.44 27.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -85.08 -16.45 40.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 110.276 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.12 -19.03 30.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 50.2 mt -97.09 -45.06 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 1.0 109.302 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -59.37 -42.8 92.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.1 m -75.32 -9.15 58.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 39.7 t -88.01 112.97 52.67 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 108.26 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -32.79 5.19 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.458 1.767 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -82.14 -7.08 59.61 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.44 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 3.1 mt-10 35.93 36.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 0.0 110.315 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -78.03 -14.04 59.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.451 ' HA ' ' CG1' ' A' ' 4' ' ' VAL . 1.3 tt -86.57 112.12 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 1.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 m -111.17 158.04 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.579 1.174 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.503 ' O ' ' OXT' ' A' ' 58' ' ' SER . 4.1 ptt85 -121.0 48.28 1.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 1.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.503 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 19.1 t . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 1.0 109.977 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' F3S . . . . . 0.414 ' S3 ' HG12 ' A' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.51 ' HB2' ' CD1' ' A' ' 2' ' ' ILE . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 111.007 -0.421 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.51 ' CD1' ' HB2' ' A' ' 1' ' ' PRO . 0.1 OUTLIER -116.4 103.66 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.57 1.168 . . . . 1.0 109.254 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -117.85 167.78 11.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.398 1.061 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.423 HG21 ' N ' ' A' ' 5' ' ' ASN . 11.5 p -122.5 161.78 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.243 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.423 ' N ' HG21 ' A' ' 4' ' ' VAL . 5.6 m-20 -91.13 -171.75 3.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.555 1.159 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -103.97 -27.26 12.26 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -62.45 -20.2 64.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.33 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.29 136.9 48.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 108.329 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.543 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -97.84 -16.1 19.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.18 . . . . 0.0 111.011 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 9' ' ' MET . . . 87.74 70.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.395 1.06 . . . . 0.0 109.335 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.57 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 0.6 OUTLIER -72.64 -40.92 66.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 108.318 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.57 ' CG ' ' O ' ' A' ' 11' ' ' CYS . 0.2 OUTLIER 90.05 7.87 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.42 -49.96 56.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.7 p -62.44 -31.41 72.11 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.516 1.135 . . . . 0.0 108.333 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.0 t -73.67 -31.4 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -83.71 -11.99 56.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.482 HG21 ' N ' ' A' ' 18' ' ' CYS . 0.4 OUTLIER -98.68 -33.05 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 1.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.482 ' N ' HG21 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -160.54 83.77 2.03 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.453 1.096 . . . . 0.0 108.318 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.511 ' O ' ' CD1' ' A' ' 34' ' ' ILE . 18.1 Cg_endo -75.01 5.4 4.01 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.467 1.772 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -100.03 -12.57 19.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.519 HG13 ' CZ ' ' A' ' 22' ' ' PHE . 25.1 t -112.16 -31.06 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.616 ' CE1' ' CD1' ' A' ' 55' ' ' ILE . 14.9 m-85 -140.82 127.44 20.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.484 ' CG ' ' N ' ' A' ' 24' ' ' MET . 9.0 tt0 -141.41 158.44 43.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.484 ' N ' ' CG ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -63.67 143.57 57.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 30' ' ' LYS . 13.1 p-10 -59.75 -154.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.98 -53.99 11.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -73.05 -4.8 34.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.474 ' N ' ' OD1' ' A' ' 25' ' ' ASN . . . 61.47 34.62 89.0 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.98 -1.5 8.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 109.363 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 25' ' ' ASN . 2.0 tptt -135.04 115.27 13.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 1.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.404 ' CB ' ' S2 ' ' A' ' 59' ' ' F3S . . . -72.35 100.07 2.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.431 ' CG1' ' N ' ' A' ' 33' ' ' VAL . 83.9 t -96.95 168.27 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.431 ' N ' ' CG1' ' A' ' 32' ' ' VAL . 24.5 t -92.79 144.1 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.088 . . . . 0.0 109.363 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.511 ' CD1' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -114.6 -32.67 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 1.0 109.342 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.491 ' C ' ' H ' ' A' ' 37' ' ' ASP . 9.5 t-20 -111.18 96.66 31.61 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.471 ' O ' ' CG ' ' A' ' 1' ' ' PRO . 18.4 Cg_endo -74.99 24.63 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.461 1.769 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.589 ' O ' ' C ' ' A' ' 38' ' ' SER . 16.0 t0 -175.72 36.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.448 1.092 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.589 ' C ' ' O ' ' A' ' 37' ' ' ASP . 1.6 t -22.75 -77.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.048 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.558 ' CB ' ' O ' ' A' ' 38' ' ' SER . 4.8 t0 86.11 15.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.414 HD13 ' OG ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -124.05 152.98 42.02 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.434 1.084 . . . . 0.0 109.253 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 44' ' ' GLU . 18.9 t70 -58.24 -16.38 13.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 46' ' ' ALA . 0.9 OUTLIER -41.92 -39.04 1.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 108.374 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.47 ' CG1' HD13 ' A' ' 47' ' ' ILE . 25.5 t -62.13 -49.0 85.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.353 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' ASP . 0.2 OUTLIER -57.63 -46.51 84.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.595 1.184 . . . . 0.0 110.348 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.446 ' CG ' ' HA ' ' A' ' 42' ' ' CYS . 16.0 pt-20 -78.11 -15.09 59.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.242 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 42' ' ' CYS . . . -88.53 -15.38 35.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.502 ' CG1' ' CG2' ' A' ' 55' ' ' ILE . 6.2 mt -98.93 -44.34 11.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 1.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.04 -15.83 60.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.426 ' O ' ' HD3' ' A' ' 51' ' ' PRO . 1.2 m -99.62 -16.1 18.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.954 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 44.6 t -88.52 112.13 48.17 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 108.337 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 49' ' ' SER . 18.1 Cg_endo -75.02 -33.6 4.43 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.789 . . . . 0.0 110.959 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -82.15 -7.0 59.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.095 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 52' ' ' ALA . 13.2 mt-10 34.12 45.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.373 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.407 ' O ' ' OD1' ' A' ' 5' ' ' ASN . . . -78.29 -13.44 59.85 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.616 ' CD1' ' CE1' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -88.55 108.7 19.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 1.0 109.253 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.1 m -108.5 154.17 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.357 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.731 ' O ' ' OXT' ' A' ' 58' ' ' SER . 7.9 mtt180 -104.12 51.98 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 1.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.731 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 31.6 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 1.0 110.0 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' F3S . . . . . 0.412 ' S2 ' ' HA ' ' A' ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.465 ' HB3' ' CB ' ' A' ' 36' ' ' PRO . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.905 0 N-CA-C 111.019 -0.416 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.538 HG13 ' CE1' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -108.23 135.3 47.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.598 1.186 . . . . 1.0 109.278 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -116.53 163.4 16.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.254 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.0 p -121.37 149.68 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -84.0 -171.48 3.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -109.24 -27.73 9.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -21.68 65.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -55.09 150.44 10.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.405 1.066 . . . . 0.0 108.277 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.492 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 2.1 tpp -108.04 -70.94 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 9' ' ' MET . . . 162.96 58.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 4.1 m -70.09 -28.69 65.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 108.3 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.508 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 0.3 OUTLIER 59.54 14.16 3.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.43 -48.58 55.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.421 ' O ' HG23 ' A' ' 17' ' ' ILE . 30.7 p -61.67 -33.63 74.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 108.296 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.7 t -75.03 -30.87 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -81.84 -16.02 52.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.158 . . . . 0.0 110.332 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.502 ' CD1' ' HG3' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -94.9 -42.53 12.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 1.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -147.93 84.42 6.93 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 108.309 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.424 ' O ' ' CD1' ' A' ' 34' ' ' ILE . 18.2 Cg_endo -75.05 3.16 5.89 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.521 1.801 . . . . 0.0 110.937 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 4.2 t70 -99.21 -13.4 19.74 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.539 ' C ' HG13 ' A' ' 34' ' ' ILE . 48.1 t -109.21 -31.59 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.538 ' CE1' HG13 ' A' ' 2' ' ' ILE . 61.0 m-85 -135.12 124.94 25.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.512 ' CG ' ' N ' ' A' ' 24' ' ' MET . 1.3 tt0 -126.04 161.73 26.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 110.334 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.512 ' N ' ' CG ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -77.24 143.33 39.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.462 ' OD1' ' N ' ' A' ' 28' ' ' GLY . 12.0 p-10 -64.86 -157.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -67.0 -54.59 20.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.385 1.053 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -77.54 0.65 22.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.462 ' N ' ' OD1' ' A' ' 25' ' ' ASN . . . 57.17 29.95 60.38 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.458 1.099 . . . . 0.0 111.017 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.5 OUTLIER -117.35 -9.27 10.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 0.773 . . . . 0.0 109.26 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -121.18 111.85 17.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 1.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.24 99.65 0.94 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.351 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.415 ' CG1' ' N ' ' A' ' 33' ' ' VAL . 58.3 t -90.36 168.77 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.415 ' N ' ' CG1' ' A' ' 32' ' ' VAL . 59.3 t -96.73 148.58 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.539 HG13 ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -126.8 -33.5 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 1.0 109.357 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.515 ' O ' ' CD1' ' A' ' 2' ' ' ILE . 32.5 t-20 -113.95 88.4 14.38 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.465 ' CB ' ' HB3' ' A' ' 1' ' ' PRO . 18.2 Cg_endo -75.05 40.1 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.489 1.784 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.452 ' H ' ' C ' ' A' ' 35' ' ' ASN . 36.0 t70 177.44 37.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.477 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 39.1 t -58.72 -83.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.476 1.11 . . . . 0.0 110.049 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 t0 47.18 40.95 10.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.565 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 1.8 pp -113.39 27.64 9.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.565 ' CB ' ' O ' ' A' ' 40' ' ' LEU . 10.7 t0 87.49 -36.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.165 . . . . 0.0 109.249 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.535 ' O ' ' CB ' ' A' ' 46' ' ' ALA . 1.2 m -49.58 -34.54 18.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 108.384 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.489 ' CG1' HD13 ' A' ' 47' ' ' ILE . 98.7 t -69.22 -34.21 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 41' ' ' ASP . 23.7 tt0 -70.55 -38.08 74.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.502 ' HG3' ' CD1' ' A' ' 17' ' ' ILE . 11.0 pt-20 -87.35 -23.83 24.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.251 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.535 ' CB ' ' O ' ' A' ' 42' ' ' CYS . . . -78.82 -22.12 46.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.489 HD13 ' CG1' ' A' ' 43' ' ' VAL . 5.8 mt -90.53 -48.43 14.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 1.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -58.93 -38.84 79.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 93.5 p -74.23 -19.67 60.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.98 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 42.5 t -87.2 113.32 53.23 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 108.283 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -31.53 6.11 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.546 1.813 . . . . 0.0 111.044 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.455 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -84.19 -6.8 59.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 52' ' ' ALA . 1.7 pt-20 34.81 46.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 110.268 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.97 -11.7 59.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.454 HG23 ' CZ ' ' A' ' 22' ' ' PHE . 5.9 mt -87.89 112.14 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 1.0 109.246 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.5 m -117.61 168.8 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -104.68 51.54 0.76 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.507 1.129 . . . . 1.0 110.331 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.548 1.155 . . . . 1.0 109.984 -179.946 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' F3S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.49 ' HB3' ' CB ' ' A' ' 36' ' ' PRO . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.952 0 N-CA-C 111.079 -0.393 . . . . 0.0 111.079 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.613 HG13 ' CE1' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -123.76 128.3 74.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 1.0 109.315 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -97.57 152.39 19.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.441 1.088 . . . . 0.0 110.288 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.478 ' CG2' HD12 ' A' ' 55' ' ' ILE . 2.4 p -125.5 2.84 4.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.198 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 m120 56.29 -172.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -119.44 -32.61 4.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.261 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -58.75 -16.55 17.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -53.21 161.03 0.95 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.128 . . . . 0.0 108.257 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.516 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -102.83 -84.66 0.46 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 9' ' ' MET . . . 162.45 59.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -72.84 -29.26 63.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 108.26 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.412 ' HG2' ' CE ' ' A' ' 24' ' ' MET . 0.8 OUTLIER 68.22 8.43 6.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.251 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.61 -47.99 61.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.4 p -60.51 -34.78 74.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 108.356 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.4 t -73.82 -31.29 30.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -75.89 -16.58 60.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.311 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.498 HG22 ' CA ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -97.5 -46.24 12.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 1.0 109.337 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.479 ' SG ' ' CG2' ' A' ' 21' ' ' VAL . 0.5 OUTLIER -137.65 78.05 38.06 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 108.304 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 2.26 6.86 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.524 1.802 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.09 -8.42 22.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.484 HG23 ' CB ' ' A' ' 38' ' ' SER . 47.0 t -112.01 -31.67 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.613 ' CE1' HG13 ' A' ' 2' ' ' ILE . 29.0 m-85 -133.23 117.59 17.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.956 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.453 ' CA ' ' OE1' ' A' ' 23' ' ' GLU . 1.5 tp10 -120.65 122.99 41.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 110.315 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.444 ' N ' ' OE1' ' A' ' 23' ' ' GLU . 3.5 mtt -37.74 148.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.575 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 32.3 t30 -60.6 -143.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.575 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 5.3 tt0 -99.84 -14.5 18.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.307 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -114.05 -8.23 13.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.243 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.403 ' HA2' ' HB3' ' A' ' 24' ' ' MET . . . 70.88 38.85 65.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.63 1.77 8.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 0.759 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 25' ' ' ASN . 6.4 ttpt -157.53 124.68 5.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 1.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.07 107.52 11.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.3 t -84.28 149.54 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.378 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.466 ' CG1' HD12 ' A' ' 2' ' ' ILE . 21.7 t -80.7 140.75 16.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.534 1.147 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.456 HG13 ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -119.76 -37.92 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 1.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.702 ' ND2' ' HG ' ' A' ' 38' ' ' SER . 16.9 t-20 -115.52 86.73 15.66 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.49 ' CB ' ' HB3' ' A' ' 1' ' ' PRO . 17.9 Cg_endo -75.07 38.75 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.494 1.786 . . . . 0.0 110.977 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.459 ' H ' ' C ' ' A' ' 35' ' ' ASN . 21.2 t0 174.21 41.37 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.702 ' HG ' ' ND2' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -82.31 -81.36 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.5 t70 54.86 50.93 14.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.071 . . . . 0.0 109.246 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.602 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -85.37 9.83 14.42 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.587 1.18 . . . . 0.0 109.352 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.602 ' CB ' ' O ' ' A' ' 40' ' ' LEU . 10.4 t70 90.71 2.54 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.362 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.483 ' SG ' ' CD1' ' A' ' 40' ' ' LEU . 4.1 p -104.56 11.92 33.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.304 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.7 t -92.25 -27.31 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -79.96 -34.99 38.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.469 ' OE2' ' CD1' ' A' ' 17' ' ' ILE . 6.2 pt-20 -81.16 -9.5 59.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.498 ' CA ' HG22 ' A' ' 17' ' ' ILE . . . -92.11 -22.5 19.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.426 ' CG1' ' HB ' ' A' ' 55' ' ' ILE . 3.6 mt -91.0 -45.19 14.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 1.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.37 -43.18 88.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 70.5 m -71.0 -17.89 62.62 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.404 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 15.2 t -86.83 114.02 56.1 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 108.304 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -28.33 9.25 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.479 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -81.91 -6.86 59.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.479 ' C ' ' O ' ' A' ' 52' ' ' ALA . 0.2 OUTLIER 32.98 45.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.87 -11.64 59.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.478 HD12 ' CG2' ' A' ' 4' ' ' VAL . 6.6 mm -87.78 129.86 38.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 1.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.3 173.24 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.581 1.175 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.442 ' O ' ' OXT' ' A' ' 58' ' ' SER . 9.8 ptm180 -109.05 17.72 21.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 1.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.442 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 9.4 t . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 1.0 110.011 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' F3S . . . . . 0.41 ' S3 ' HG12 ' A' ' 55' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.512 ' CG ' ' O ' ' A' ' 36' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.933 0 N-CA-C 111.012 -0.418 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.515 HD13 ' CG1' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -79.95 127.22 39.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 1.0 109.251 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -140.69 153.76 46.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.361 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.2 p -103.04 171.08 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.374 1.046 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 54' ' ' ALA . 11.9 m-20 -114.0 -170.2 1.67 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -105.36 -35.17 7.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.181 . . . . 0.0 109.34 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.21 -18.89 64.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -53.84 145.09 16.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 108.286 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.587 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 8.4 ttt -98.07 -24.09 15.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.587 ' CB ' ' O ' ' A' ' 9' ' ' MET . . . 90.88 65.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.222 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -31.08 64.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 108.326 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 77.37 8.66 2.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.332 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.78 -49.9 48.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.356 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.484 ' HB2' ' CB ' ' A' ' 46' ' ' ALA . 19.4 p -61.21 -30.72 70.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.095 . . . . 0.0 108.314 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.405 ' O ' ' HB3' ' A' ' 19' ' ' PRO . 87.7 t -74.43 -38.89 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.78 -24.0 52.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.45 HG22 ' N ' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -86.65 -38.41 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 1.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.5 ' SG ' ' CG2' ' A' ' 21' ' ' VAL . 1.4 t -141.32 73.1 25.88 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 108.358 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HB3' ' O ' ' A' ' 15' ' ' VAL . 18.5 Cg_endo -74.9 4.26 4.84 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.432 1.754 . . . . 0.0 111.065 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -102.73 -8.2 21.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.5 ' CG2' ' SG ' ' A' ' 18' ' ' CYS . 58.1 t -116.37 -31.76 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -133.48 125.43 28.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.422 1.076 . . . . 0.0 111.004 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.473 ' CB ' HD12 ' A' ' 34' ' ' ILE . 1.7 tt0 -123.0 130.05 52.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.419 1.075 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.9 mtm -38.04 156.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 110.987 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.607 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 26.5 t30 -75.21 -147.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.607 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 5.3 tt0 -68.27 -22.89 64.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 0.0 110.277 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -149.56 15.44 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.29 28.03 68.81 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -87.99 -7.85 56.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 0.756 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 31' ' ' ALA . 6.4 tttm -169.23 89.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 1.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' LYS . . . -39.33 121.78 1.21 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.495 ' CG2' ' OD1' ' A' ' 25' ' ' ASN . 43.5 t -97.15 169.83 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.515 ' CG1' HD13 ' A' ' 2' ' ' ILE . 61.4 t -98.17 143.96 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.473 HD12 ' CB ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -120.13 -36.33 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 1.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.489 ' C ' ' H ' ' A' ' 37' ' ' ASP . 5.1 t-20 -115.69 86.69 16.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.4 1.063 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.512 ' O ' ' CG ' ' A' ' 1' ' ' PRO . 18.4 Cg_endo -74.98 33.43 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.468 1.773 . . . . 0.0 111.034 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.489 ' H ' ' C ' ' A' ' 35' ' ' ASN . 27.1 t70 171.24 42.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.09 -169.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.041 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.61 30.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.9 mt -90.94 -167.42 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -125.24 27.89 6.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.579 1.175 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.455 ' HA ' ' HG3' ' A' ' 45' ' ' GLU . 0.8 OUTLIER -106.18 -10.94 16.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 108.31 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 46' ' ' ALA . 59.9 t -72.1 -55.73 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.33 -24.46 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.414 1.071 . . . . 0.0 110.277 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 49' ' ' SER . 0.3 OUTLIER -88.06 -35.11 17.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.484 ' CB ' ' HB2' ' A' ' 14' ' ' CYS . . . -64.38 -23.39 67.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -90.64 -51.39 11.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 1.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.52 -22.08 66.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.163 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 53.5 m -91.08 -15.63 29.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.009 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 51.8 t -88.63 112.6 51.3 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 108.253 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 49' ' ' SER . 18.2 Cg_endo -75.03 -32.88 4.97 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.485 1.782 . . . . 0.0 110.956 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -85.06 -7.03 59.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 52' ' ' ALA . 2.4 tm-20 35.58 45.73 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.413 ' O ' ' OD1' ' A' ' 5' ' ' ASN . . . -79.5 -16.07 56.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.415 ' CG2' ' S3 ' ' A' ' 59' ' ' F3S . 9.9 pt -88.7 117.08 31.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.091 . . . . 1.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 m -112.91 162.33 11.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 0.0 109.241 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.932 ' O ' ' OXT' ' A' ' 58' ' ' SER . 58.2 mtm180 -105.16 39.64 1.68 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 1.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.932 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 12.0 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 1.0 109.964 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' F3S . . . . . 0.419 ' S2 ' ' HA ' ' A' ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.453 ' HB3' ' O ' ' A' ' 36' ' ' PRO . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.951 0 N-CA-C 111.061 -0.4 . . . . 0.0 111.061 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.501 ' CD1' ' HA ' ' A' ' 36' ' ' PRO . 0.3 OUTLIER -50.6 -179.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 1.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.454 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . 2.3 tp10 -152.37 156.9 40.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.502 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 3.2 p -136.32 -44.64 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.362 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 4' ' ' VAL . 0.5 OUTLIER 82.81 -171.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.85 -12.55 13.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.6 -20.37 65.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.473 ' SG ' ' N ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -56.25 162.38 2.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 108.276 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.51 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 7.2 mtm -98.86 -90.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.051 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 9' ' ' MET . . . 162.27 50.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.419 ' SG ' ' S4 ' ' A' ' 59' ' ' F3S . 4.3 p -72.71 -40.88 65.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.065 . . . . 0.0 108.302 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 11' ' ' CYS . 41.2 tt0 79.61 16.2 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.24 -50.31 48.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.7 p -62.82 -30.86 71.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 108.334 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.8 t -73.82 -34.42 40.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.24 -19.4 53.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.422 HG21 ' N ' ' A' ' 18' ' ' CYS . 0.5 OUTLIER -91.4 -38.51 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 1.0 109.327 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.422 ' N ' HG21 ' A' ' 17' ' ' ILE . 1.8 t -148.16 78.87 9.34 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.298 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 4.03 5.08 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.51 1.795 . . . . 0.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -98.1 -15.13 20.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.232 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.493 HG11 ' CE1' ' A' ' 22' ' ' PHE . 47.5 t -113.79 -25.5 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.493 ' CE1' HG11 ' A' ' 21' ' ' VAL . 29.4 m-85 -139.59 122.22 16.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.478 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 6.2 tt0 -137.87 145.0 41.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.245 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.427 ' HB3' ' HA2' ' A' ' 28' ' ' GLY . 2.6 mtp -55.25 150.44 11.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 30' ' ' LYS . 12.7 p-10 -67.46 -155.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.74 -53.06 20.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 110.327 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -73.96 -5.28 40.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 110.262 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.457 ' N ' ' OD1' ' A' ' 25' ' ' ASN . . . 61.0 34.1 86.56 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.55 -2.66 8.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 25' ' ' ASN . 4.2 tptm -132.81 121.68 23.33 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.503 1.127 . . . . 1.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.89 100.93 3.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 33' ' ' VAL . 79.3 t -92.11 166.03 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.465 ' CG1' HD13 ' A' ' 2' ' ' ILE . 60.2 t -97.43 144.33 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -116.09 -31.37 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 1.0 109.277 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.471 ' C ' ' H ' ' A' ' 37' ' ' ASP . 3.1 t-20 -117.95 79.09 13.43 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.501 ' HA ' ' CD1' ' A' ' 2' ' ' ILE . 18.4 Cg_endo -74.97 38.39 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.455 1.766 . . . . 0.0 111.04 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.471 ' H ' ' C ' ' A' ' 35' ' ' ASN . 19.1 t0 172.55 43.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.223 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -164.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.473 1.108 . . . . 0.0 110.003 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -171.48 33.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.24 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.47 ' CD1' ' SG ' ' A' ' 42' ' ' CYS . 0.3 OUTLIER -113.11 -175.63 2.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 109.347 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 44' ' ' GLU . 10.1 t70 -98.77 -18.06 18.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.534 ' HA ' ' CG ' ' A' ' 45' ' ' GLU . 0.5 OUTLIER -42.63 -30.58 0.38 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.168 . . . . 0.0 108.294 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.44 HG13 ' CD1' ' A' ' 47' ' ' ILE . 21.4 t -62.33 -51.67 69.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.37 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 41' ' ' ASP . 6.6 mt-10 -55.5 -43.19 75.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.534 ' CG ' ' HA ' ' A' ' 42' ' ' CYS . 21.7 pt-20 -83.06 0.28 45.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -103.28 -20.0 14.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.467 ' CG1' HG21 ' A' ' 55' ' ' ILE . 1.0 OUTLIER -96.99 -40.09 9.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 1.0 109.326 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.54 -31.74 72.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.3 m -82.59 -7.83 59.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.449 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 48.1 t -88.3 112.9 52.65 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.397 1.061 . . . . 0.0 108.31 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -32.68 5.28 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.428 1.751 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -84.97 -7.2 59.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.449 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 1.1 mm-40 34.51 45.86 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.71 -21.9 40.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.085 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.506 ' CD1' ' S3 ' ' A' ' 59' ' ' F3S . 7.1 mt -88.49 139.39 17.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 1.0 109.333 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.454 ' CG2' ' HB3' ' A' ' 3' ' ' GLU . 5.0 m -141.47 -178.33 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.643 ' O ' ' OXT' ' A' ' 58' ' ' SER . 0.8 OUTLIER -118.56 47.5 1.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 1.0 110.323 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.643 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 1.0 110.004 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' F3S . . . . . 0.506 ' S3 ' ' CD1' ' A' ' 55' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.779 HD11 ' CG1' ' A' ' 33' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 55' ' ' ILE . 3.3 mt-10 -135.19 142.88 46.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.334 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.771 HG21 ' HB3' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -103.89 15.68 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 60.3 -169.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -112.13 -28.35 8.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.356 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -60.16 -21.47 61.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.354 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.414 ' HB2' ' CB ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -55.78 157.99 3.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 108.348 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.631 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 5.4 mtt -108.64 -84.61 0.54 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.631 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 168.0 59.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.3 t -72.08 -29.82 64.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.143 . . . . 0.0 108.265 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 70.13 14.01 7.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.02 -49.26 59.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.417 ' O ' HG22 ' A' ' 17' ' ' ILE . 26.8 p -61.9 -31.58 71.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 108.304 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.776 HG22 ' O ' ' A' ' 22' ' ' PHE . 79.5 t -75.44 -30.61 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.31 -10.04 59.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.672 HD12 ' HG3' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -103.06 -43.11 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -148.73 84.35 6.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 108.298 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.412 ' O ' ' CD1' ' A' ' 34' ' ' ILE . 18.2 Cg_endo -75.0 4.0 5.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.478 1.778 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.12 -10.79 22.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.643 HG21 HD11 ' A' ' 40' ' ' LEU . 49.4 t -114.03 -34.1 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.776 ' O ' HG22 ' A' ' 15' ' ' VAL . 30.4 m-85 -136.34 121.08 18.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.485 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 4.8 tt0 -129.63 158.33 39.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.48 ' N ' ' CG ' ' A' ' 23' ' ' GLU . 0.4 OUTLIER -62.26 146.71 50.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.967 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.537 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 23.0 t30 -60.89 -144.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.537 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -81.52 -24.59 36.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.27 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -133.84 5.92 3.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.55 22.05 79.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -80.5 -4.77 55.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -167.85 148.6 5.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.771 ' HB3' HG21 ' A' ' 4' ' ' VAL . . . -77.27 111.67 13.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 23' ' ' GLU . 0.4 OUTLIER -93.79 145.72 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.779 ' CG1' HD11 ' A' ' 2' ' ' ILE . 35.4 t -85.58 145.76 7.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.485 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -120.68 -33.54 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.495 ' C ' ' H ' ' A' ' 37' ' ' ASP . 2.9 t-20 -116.73 80.81 11.08 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.536 ' HA ' ' CD1' ' A' ' 2' ' ' ILE . 18.2 Cg_endo -75.0 35.09 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.461 1.769 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.495 ' H ' ' C ' ' A' ' 35' ' ' ASN . 48.0 t0 175.23 42.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.421 ' OG ' HD11 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -58.93 -162.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.038 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -170.59 32.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.976 HD13 ' HB2' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -123.65 169.13 11.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 44' ' ' GLU . 21.0 t70 -81.96 -1.73 49.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.976 ' HB2' HD13 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -52.45 -29.05 22.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 108.292 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.789 ' O ' HD12 ' A' ' 47' ' ' ILE . 25.6 t -69.91 -30.25 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.9 mt-10 -74.34 -39.85 62.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.672 ' HG3' HD12 ' A' ' 17' ' ' ILE . 12.0 pt-20 -84.39 -27.6 27.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.256 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 42' ' ' CYS . . . -73.82 -23.41 59.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.789 HD12 ' O ' ' A' ' 43' ' ' VAL . 5.6 mt -90.52 -50.84 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -57.18 -51.78 67.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.1 m -61.15 -17.27 52.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.986 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 15.9 t -88.09 113.61 55.69 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 108.29 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.55 9.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.439 1.758 . . . . 0.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -81.26 -7.92 59.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 52' ' ' ALA . 1.7 tt0 36.19 45.41 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.591 ' HB1' ' O ' ' A' ' 4' ' ' VAL . . . -82.72 -12.31 57.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.641 HD13 HG12 ' A' ' 4' ' ' VAL . 2.5 mm -86.86 129.12 38.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -145.52 153.24 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.805 ' O ' ' OXT' ' A' ' 58' ' ' SER . 65.8 mtm-85 -87.74 43.22 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.805 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 2.4 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 1.0 109.991 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.931 HD11 ' O ' ' A' ' 35' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.71 150.8 39.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.279 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.519 HG11 ' O ' ' A' ' 31' ' ' ALA . 2.8 p -114.83 140.19 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.57 ' HB2' ' HB1' ' A' ' 54' ' ' ALA . 6.4 m-20 -78.81 -172.22 2.92 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -104.75 -14.82 15.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -28.52 69.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.6 t -55.06 145.84 19.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 108.273 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.628 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 4.3 mmt -98.5 -68.06 0.82 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 167.78 48.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.378 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 78.6 m -73.15 -37.79 66.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 108.352 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 58.66 25.17 12.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.174 . . . . 0.0 110.343 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.68 -49.11 61.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.932 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 1.7 m -63.12 -29.62 70.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 108.287 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.535 HG22 ' CB ' ' A' ' 22' ' ' PHE . 79.4 t -74.86 -32.81 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.91 -16.47 59.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.489 HD12 ' OE2' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -103.43 -31.3 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.352 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.535 ' SG ' ' CG2' ' A' ' 21' ' ' VAL . 5.3 t -144.52 72.95 15.69 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 108.279 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 4.31 4.86 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.498 1.789 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.83 -11.39 18.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.378 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.535 ' CG2' ' SG ' ' A' ' 18' ' ' CYS . 69.6 t -115.52 -20.83 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.535 ' CB ' HG22 ' A' ' 15' ' ' VAL . 34.4 m-85 -139.0 134.82 33.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 110.963 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -149.92 136.22 18.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.423 ' HB3' ' HA2' ' A' ' 28' ' ' GLY . 0.9 OUTLIER -51.79 145.92 8.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 28' ' ' GLY . 11.6 p-10 -61.18 -155.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -70.27 -53.86 15.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.427 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 1.9 mm-40 -71.04 -14.04 62.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.342 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.487 ' N ' ' OD1' ' A' ' 25' ' ' ASN . . . 67.27 40.05 92.1 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.587 1.179 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.97 -12.23 12.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 0.776 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -136.65 137.64 40.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.519 ' O ' HG11 ' A' ' 4' ' ' VAL . . . -84.77 96.22 9.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.249 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.4 t -83.21 146.08 7.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.571 HG21 ' O ' ' A' ' 2' ' ' ILE . 74.0 t -77.48 137.02 23.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.476 HG13 ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -110.28 -32.44 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.208 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.931 ' O ' HD11 ' A' ' 2' ' ' ILE . 11.3 t-20 -113.04 92.18 20.62 Favored Pre-proline 0 C--N 1.323 -0.548 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 34' ' ' ILE . 18.2 Cg_endo -74.93 32.84 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.41 1.742 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.507 ' H ' ' C ' ' A' ' 35' ' ' ASN . 28.6 t70 177.26 40.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.724 ' OG ' HD12 ' A' ' 40' ' ' LEU . 12.5 t -31.42 -69.37 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.01 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.406 ' CB ' ' O ' ' A' ' 38' ' ' SER . 9.0 t70 75.74 9.63 3.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.724 HD12 ' OG ' ' A' ' 38' ' ' SER . 0.7 OUTLIER -85.99 -144.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 41' ' ' ASP . 8.9 t70 -140.37 13.38 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.6 p -95.81 -10.64 28.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 108.235 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.558 HG12 HD12 ' A' ' 47' ' ' ILE . 71.3 t -69.43 -35.47 67.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.34 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.51 -41.35 96.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.489 ' OE2' HD12 ' A' ' 17' ' ' ILE . 18.6 pt-20 -81.34 -8.37 59.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.253 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.932 ' HB1' ' HB3' ' A' ' 14' ' ' CYS . . . -95.42 -13.44 24.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.558 HD12 HG12 ' A' ' 43' ' ' VAL . 3.6 mt -105.39 -47.72 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.226 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.33 -43.22 96.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.1 m -71.67 -9.05 57.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 110.006 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.509 ' SG ' ' CD1' ' A' ' 55' ' ' ILE . 49.3 t -87.4 113.99 56.64 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.315 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -32.03 5.79 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -88.93 -8.69 53.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 109.347 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 52' ' ' ALA . 41.0 mt-10 37.73 50.56 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.57 ' HB1' ' HB2' ' A' ' 5' ' ' ASN . . . -77.45 -10.7 59.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.619 ' H ' HD12 ' A' ' 55' ' ' ILE . 3.8 mp -87.02 110.52 20.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.1 m -113.83 165.65 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.461 ' O ' ' OXT' ' A' ' 58' ' ' SER . 0.1 OUTLIER -90.31 35.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.461 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 1.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 1.004 HD11 HG11 ' A' ' 33' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.441 ' O ' ' HA ' ' A' ' 55' ' ' ILE . 10.9 tt0 -148.92 141.85 24.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.264 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.415 ' O ' ' HB2' ' A' ' 5' ' ' ASN . 7.4 p -107.61 -23.8 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 4' ' ' VAL . 76.4 m-20 63.97 -171.12 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -107.63 -6.05 17.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -67.28 -39.65 86.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.469 ' SG ' ' N ' ' A' ' 9' ' ' MET . 0.8 OUTLIER -47.98 162.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 108.291 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.622 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 1.0 OUTLIER -103.01 -77.36 0.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 111.012 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.622 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 168.8 41.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 m -66.51 -37.33 84.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 108.329 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.41 ' CD ' ' CG ' ' A' ' 24' ' ' MET . 1.3 mt-10 58.85 17.93 5.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.358 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.68 -47.38 72.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.63 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 1.2 m -61.91 -31.51 71.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 108.303 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.706 HG22 ' HB2' ' A' ' 22' ' ' PHE . 66.6 t -75.7 -29.82 20.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.77 9.98 3.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 110.262 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.721 HD11 ' OE1' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -133.95 -43.66 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.579 1.174 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.4 t -125.29 74.14 67.7 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 108.291 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD3' ' C ' ' A' ' 17' ' ' ILE . 18.4 Cg_endo -75.05 2.1 7.03 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.569 1.826 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -101.17 -11.92 19.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.241 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.587 HG12 ' CE1' ' A' ' 22' ' ' PHE . 62.8 t -112.35 -26.44 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.706 ' HB2' HG22 ' A' ' 15' ' ' VAL . 25.0 m-85 -139.05 133.84 32.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -141.19 136.87 32.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.322 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.423 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -40.92 153.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 111.042 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.612 ' OD1' ' N ' ' A' ' 28' ' ' GLY . 20.0 p-10 -91.48 -150.85 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.518 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 2.4 tt0 -43.44 -36.11 1.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.265 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.453 ' CG ' ' C ' ' A' ' 26' ' ' GLU . 4.3 mt-10 -154.56 31.07 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.612 ' N ' ' OD1' ' A' ' 25' ' ' ASN . . . 69.08 11.14 63.22 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -58.04 -17.18 16.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 109.296 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.7 pttt -167.33 109.2 0.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.75 104.62 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.568 HG12 ' N ' ' A' ' 33' ' ' VAL . 53.2 t -76.08 169.96 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.004 HG11 HD11 ' A' ' 2' ' ' ILE . 59.6 t -105.24 141.98 19.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.463 HG13 ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -118.72 -31.01 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.475 ' C ' ' H ' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -115.51 82.29 9.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.599 ' HA ' ' CD1' ' A' ' 2' ' ' ILE . 18.2 Cg_endo -74.94 37.58 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.515 1.797 . . . . 0.0 110.968 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.475 ' H ' ' C ' ' A' ' 35' ' ' ASN . 34.6 t0 179.17 40.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.366 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.464 ' CB ' HG22 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -83.43 -76.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.963 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 t0 40.25 46.38 1.93 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 1.157 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.697 ' O ' HD12 ' A' ' 40' ' ' LEU . 2.5 pp -108.97 44.16 1.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 44' ' ' GLU . 18.0 t0 79.49 -51.35 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.9 t -43.33 -30.39 0.51 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 108.237 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.429 ' N ' ' C ' ' A' ' 41' ' ' ASP . 2.5 t -76.47 -46.4 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 41' ' ' ASP . 8.3 mt-10 -56.86 -32.92 66.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.356 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.721 ' OE1' HD11 ' A' ' 17' ' ' ILE . 9.4 pt-20 -89.24 -4.59 58.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.335 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.63 ' HB1' ' HB3' ' A' ' 14' ' ' CYS . . . -100.73 -15.8 17.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.471 ' CG1' ' CG2' ' A' ' 55' ' ' ILE . 6.0 mt -99.43 -36.07 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -65.34 -19.64 66.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.44 ' O ' ' HD3' ' A' ' 51' ' ' PRO . 48.7 m -99.73 -1.03 38.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 110.053 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 53.8 t -88.68 111.64 45.43 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.455 1.097 . . . . 0.0 108.328 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' A' ' 49' ' ' SER . 18.3 Cg_endo -75.01 -32.51 5.3 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.468 1.772 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -85.82 -6.68 59.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.24 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.45 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 4.0 tt0 38.22 38.45 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.85 -9.74 58.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.471 ' CG2' ' CG1' ' A' ' 47' ' ' ILE . 1.0 OUTLIER -85.46 119.7 34.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.61 1.194 . . . . 0.0 109.332 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.421 HG23 ' HB3' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -128.49 162.03 36.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.87 48.87 1.14 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 1.0 109.981 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.791 HD13 ' HA ' ' A' ' 37' ' ' ASP . 2.0 mp . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.627 ' HA ' HG21 ' A' ' 33' ' ' VAL . 11.3 mt-10 -135.31 -156.13 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.488 ' CG1' HG12 ' A' ' 55' ' ' ILE . 0.4 OUTLIER -127.36 -104.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 5' ' ' ASN . 0.2 OUTLIER 178.01 -171.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -93.56 3.51 55.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.338 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.9 -41.72 11.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.597 1.186 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -45.38 162.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 108.242 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.652 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -106.69 -86.35 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.652 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 166.5 61.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.392 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 12' ' ' GLU . 1.8 t -72.22 -30.09 64.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 108.275 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.497 ' OE2' ' CG ' ' A' ' 24' ' ' MET . 1.2 tt0 73.14 10.68 5.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 110.284 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.09 -49.39 51.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.627 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 20.3 p -56.6 -42.15 78.24 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 0.0 108.244 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.765 HG22 ' O ' ' A' ' 22' ' ' PHE . 51.2 t -71.45 -30.39 39.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -85.0 41.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.323 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -170.37 -40.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.495 ' SG ' ' CG2' ' A' ' 21' ' ' VAL . 1.7 t -132.7 68.03 78.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 108.234 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 0.81 8.48 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.405 1.739 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.35 -0.43 43.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.529 HG21 HG23 ' A' ' 43' ' ' VAL . 44.3 t -124.5 -38.82 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.765 ' O ' HG22 ' A' ' 15' ' ' VAL . 18.6 m-85 -130.19 121.62 26.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 111.071 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 24' ' ' MET . 4.7 tt0 -126.44 143.47 51.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.497 ' CG ' ' OE2' ' A' ' 12' ' ' GLU . 1.4 mtp -40.43 163.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.663 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 28.9 t30 -84.69 -149.18 0.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.663 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 3.9 tt0 -66.7 -22.44 66.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.417 ' CG ' ' C ' ' A' ' 26' ' ' GLU . 3.0 mt-10 -152.17 19.14 0.66 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.403 ' HA2' ' HB3' ' A' ' 24' ' ' MET . . . 77.51 12.86 84.13 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.488 1.118 . . . . 0.0 111.018 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -62.82 -14.95 51.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.763 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -167.83 161.0 12.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.06 104.83 17.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.498 ' CG2' ' OD1' ' A' ' 25' ' ' ASN . 78.2 t -77.86 154.34 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.627 HG21 ' HA ' ' A' ' 3' ' ' GLU . 68.8 t -102.84 132.51 48.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.122 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.93 -35.06 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.509 ' C ' ' H ' ' A' ' 37' ' ' ASP . 5.5 t-20 -114.71 91.18 24.55 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 26.25 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.801 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.791 ' HA ' HD13 ' A' ' 2' ' ' ILE . 16.5 t0 178.41 39.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.615 ' HB3' HG21 ' A' ' 43' ' ' VAL . 8.5 t -36.49 -72.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.047 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER 79.72 1.94 2.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 109.371 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.532 HD12 ' OG ' ' A' ' 38' ' ' SER . 14.2 mt -66.87 -141.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -134.28 10.48 3.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.9 p -102.16 -22.66 14.16 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.528 1.143 . . . . 0.0 108.313 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.615 HG21 ' HB3' ' A' ' 38' ' ' SER . 2.7 t -59.81 -42.3 88.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -66.27 -16.73 64.26 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.561 1.163 . . . . 0.0 110.306 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 49' ' ' SER . 3.6 mm-40 -86.82 -33.96 19.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.285 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.627 ' HB1' ' HB2' ' A' ' 14' ' ' CYS . . . -65.81 -25.15 67.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.3 mt -88.37 -54.63 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.02 -20.18 56.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.47 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 67.8 m -94.79 -23.83 17.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.031 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.5 t -88.59 113.45 55.62 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.094 . . . . 0.0 108.223 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -23.42 13.86 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.529 1.805 . . . . 0.0 110.971 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.37 -11.12 57.97 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 38.43 37.02 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.35 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.475 ' O ' ' HA ' ' A' ' 4' ' ' VAL . . . -77.27 -10.93 59.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.488 HG12 ' CG1' ' A' ' 4' ' ' VAL . 3.7 mt -83.74 119.77 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.9 m -123.01 151.99 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' SER . 13.4 ptt-85 -100.82 40.48 1.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.17 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 57' ' ' ARG . 41.5 t . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 1.0 109.957 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.882 HD11 HG11 ' A' ' 33' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.699 ' O ' HD12 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -129.42 152.93 48.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.728 HG11 ' O ' ' A' ' 31' ' ' ALA . 13.9 p -108.88 -2.41 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.1 m120 62.12 -169.71 0.17 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -119.01 -42.89 2.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.83 -28.7 2.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.411 1.07 . . . . 0.0 109.256 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.457 ' SG ' ' N ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -53.26 161.0 0.99 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.492 1.12 . . . . 0.0 108.232 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.691 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 18.5 ttm -100.45 -85.05 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 111.065 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.691 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 163.06 51.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.28 -29.85 64.28 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.571 1.169 . . . . 0.0 108.276 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 70.31 24.86 4.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.65 -50.78 40.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.48 ' O ' HG22 ' A' ' 17' ' ' ILE . 25.3 p -63.28 -30.39 71.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 108.366 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 22' ' ' PHE . 90.8 t -74.6 -30.05 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -78.58 -17.81 55.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.619 HD12 ' HG3' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -95.44 -43.05 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.309 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.4 ' SG ' HG23 ' A' ' 21' ' ' VAL . 1.8 t -139.4 77.69 28.83 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 108.25 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 3.54 5.49 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.588 1.836 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.63 -13.29 19.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.42 ' C ' HG13 ' A' ' 34' ' ' ILE . 94.4 t -112.92 -27.39 2.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.605 ' O ' HG13 ' A' ' 15' ' ' VAL . 29.9 m-85 -136.48 117.74 14.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.471 ' CG ' ' N ' ' A' ' 24' ' ' MET . 3.9 tt0 -124.13 157.85 33.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 110.227 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.494 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -58.51 145.87 37.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.673 ' HB3' HG23 ' A' ' 32' ' ' VAL . 9.5 p-10 -79.03 -150.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.36 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.43 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 3.0 tt0 -55.35 -48.73 73.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -121.04 20.99 11.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.565 ' N ' ' OD1' ' A' ' 25' ' ' ASN . . . 55.19 20.19 20.13 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.628 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 1.5 t70 -76.43 -7.63 55.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 0.801 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -159.43 120.56 3.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.728 ' O ' HG11 ' A' ' 4' ' ' VAL . . . -57.41 109.27 0.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.673 HG23 ' HB3' ' A' ' 25' ' ' ASN . 3.1 t -86.24 155.63 3.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 109.342 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.882 HG11 HD11 ' A' ' 2' ' ' ILE . 46.3 t -93.24 137.79 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.42 HG13 ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -113.01 -30.69 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.413 1.07 . . . . 0.0 109.334 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.484 ' C ' ' H ' ' A' ' 37' ' ' ASP . 5.9 t-20 -115.94 81.76 10.2 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.57 ' HA ' ' CD1' ' A' ' 2' ' ' ILE . 18.2 Cg_endo -75.05 37.36 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.479 1.778 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.484 ' H ' ' C ' ' A' ' 35' ' ' ASN . 36.1 t70 174.06 44.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.43 -163.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 109.946 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -171.47 32.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 109.255 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.547 ' CD1' HG23 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -115.61 -171.01 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.901 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 44' ' ' GLU . 13.3 t70 -104.51 -11.2 17.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.229 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -51.8 -29.01 17.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 108.298 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.547 HG23 ' CD1' ' A' ' 40' ' ' LEU . 80.4 t -67.35 -27.73 39.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.7 tt0 -77.16 -42.96 35.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.33 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.619 ' HG3' HD12 ' A' ' 17' ' ' ILE . 3.5 pt-20 -82.24 -16.04 50.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 42' ' ' CYS . . . -86.62 -14.35 42.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.789 HG13 HG23 ' A' ' 55' ' ' ILE . 0.5 OUTLIER -102.48 -46.04 10.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.243 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.61 -29.47 70.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.37 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.0 m -81.82 -9.24 59.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.024 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.512 ' SG ' HG22 ' A' ' 55' ' ' ILE . 29.0 t -88.36 113.08 53.73 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.431 1.082 . . . . 0.0 108.254 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -31.93 5.73 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.48 1.779 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.39 -6.49 58.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.452 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 2.6 tp10 38.9 34.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.33 -18.59 57.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.393 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.789 HG23 HG13 ' A' ' 47' ' ' ILE . 1.0 OUTLIER -88.68 120.27 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.379 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -125.13 -178.96 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.914 ' O ' ' OXT' ' A' ' 58' ' ' SER . 9.4 mtt180 -121.83 43.22 2.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.414 1.071 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.914 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 18.9 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 1.0 109.968 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.609 HD11 ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.619 ' HB3' HG23 ' A' ' 56' ' ' VAL . 4.9 tt0 -134.43 148.06 50.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.617 HG22 ' O ' ' A' ' 4' ' ' VAL . 2.7 p -134.31 9.96 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.564 ' HB2' ' HB1' ' A' ' 54' ' ' ALA . 24.9 m-20 46.02 -170.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -119.85 -30.42 4.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.416 1.073 . . . . 0.0 109.349 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.02 -19.12 40.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.429 ' SG ' ' N ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -55.68 159.69 2.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 108.315 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.533 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 1.3 mtp -108.11 -92.68 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.533 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 173.59 41.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.7 t -61.75 -29.84 70.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 108.319 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 71.71 26.29 3.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.15 -48.92 55.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.53 ' O ' HG22 ' A' ' 17' ' ' ILE . 10.6 p -62.28 -34.49 76.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 108.298 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.469 HG13 ' HA ' ' A' ' 23' ' ' GLU . 25.3 t -74.64 -29.29 23.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -86.3 27.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 110.345 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.81 ' O ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -148.41 -46.55 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.241 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.56 ' SG ' HG23 ' A' ' 21' ' ' VAL . 3.9 t -135.51 83.5 36.82 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 108.237 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.513 ' O ' ' CD1' ' A' ' 34' ' ' ILE . 18.6 Cg_endo -74.98 7.9 2.65 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.538 1.809 . . . . 0.0 111.023 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -108.75 -7.62 15.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.711 HG12 ' CZ ' ' A' ' 22' ' ' PHE . 71.9 t -116.43 -34.72 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.711 ' CZ ' HG12 ' A' ' 21' ' ' VAL . 17.9 m-85 -141.35 125.51 17.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 111.054 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 1.007 ' O ' HG12 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -147.4 141.73 26.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.077 . . . . 0.0 110.328 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.449 ' C ' ' O ' ' A' ' 23' ' ' GLU . 2.0 mtm -33.94 142.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 30' ' ' LYS . 11.8 p-10 -70.64 -156.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.259 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -52.1 53.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.266 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.442 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 2.3 mm-40 -80.34 -3.4 49.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.473 ' N ' ' OD1' ' A' ' 25' ' ' ASN . . . 60.46 32.15 76.71 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.524 1.14 . . . . 0.0 111.059 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 1.1 t0 -112.37 -10.65 13.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.761 . . . . 0.0 109.387 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 25' ' ' ASN . 10.2 mtmm -137.4 128.46 27.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.61 95.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.007 HG12 ' O ' ' A' ' 23' ' ' GLU . 3.5 p -76.1 160.7 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.609 ' CG1' HD11 ' A' ' 2' ' ' ILE . 79.8 t -96.21 137.09 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.513 ' CD1' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -111.46 -26.79 3.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.431 1.082 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.589 ' O ' HD11 ' A' ' 2' ' ' ILE . 16.8 t-20 -113.14 89.35 13.97 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.446 ' HD3' ' O ' ' A' ' 34' ' ' ILE . 18.3 Cg_endo -74.99 28.56 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.435 1.755 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.508 ' H ' ' C ' ' A' ' 35' ' ' ASN . 33.1 t70 -172.73 34.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.1 t -50.75 -95.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.991 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 57.52 22.24 7.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.559 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 2.7 pp -94.85 22.24 6.66 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 40' ' ' LEU . 4.8 t70 87.11 -37.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.507 ' HA ' ' CG ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -41.66 -35.9 0.85 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.09 . . . . 0.0 108.282 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.993 HG12 ' CD1' ' A' ' 47' ' ' ILE . 2.2 t -68.96 -48.34 70.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.357 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -57.71 -28.18 63.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.69 ' OE1' HD11 ' A' ' 17' ' ' ILE . 12.1 pt-20 -98.04 -14.7 20.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.348 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 42' ' ' CYS . . . -93.06 -22.33 19.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.993 ' CD1' HG12 ' A' ' 43' ' ' VAL . 20.2 mt -87.88 -40.82 13.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.09 -26.4 68.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.401 ' O ' ' HD3' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -86.98 -15.32 39.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.079 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 34.9 t -84.92 113.31 49.06 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 108.323 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 49' ' ' SER . 18.3 Cg_endo -74.97 -32.54 5.34 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.528 1.804 . . . . 0.0 111.061 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -81.4 -6.78 59.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 52' ' ' ALA . 3.2 pt-20 34.17 45.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.327 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.564 ' HB1' ' HB2' ' A' ' 5' ' ' ASN . . . -84.65 -20.52 31.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.228 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.463 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 3.0 pt -91.82 129.98 41.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.619 HG23 ' HB3' ' A' ' 3' ' ' GLU . 3.2 m -143.2 -175.28 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 58' ' ' SER . 7.0 ptm180 -125.19 43.96 2.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.33 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 57' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 1.0 110.035 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.792 HD11 ' CG1' ' A' ' 33' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.469 ' CG ' ' C ' ' A' ' 2' ' ' ILE . 0.2 OUTLIER -159.96 -179.45 7.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.879 HG12 ' HA ' ' A' ' 55' ' ' ILE . 33.7 m -130.86 -162.59 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.94 -159.19 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -100.66 11.54 39.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.04 -34.44 12.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -51.33 157.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 108.32 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.58 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 7.9 mtt -102.88 -93.52 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 170.98 41.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.082 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.87 -28.97 67.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 108.293 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 69.91 30.91 3.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 0.0 110.259 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.33 -48.29 61.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.515 ' O ' HG22 ' A' ' 17' ' ' ILE . 10.2 p -62.16 -33.94 75.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 108.354 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.565 HG22 ' C ' ' A' ' 22' ' ' PHE . 75.9 t -74.12 -29.6 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -83.93 38.39 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.786 ' O ' HD13 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -165.88 -42.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.1 t -135.18 71.85 67.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.616 1.197 . . . . 0.0 108.214 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.449 ' HA ' ' O ' ' A' ' 22' ' ' PHE . 18.4 Cg_endo -74.96 2.66 6.36 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.526 1.803 . . . . 0.0 111.019 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.52 -9.67 29.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.96 HG21 HD11 ' A' ' 40' ' ' LEU . 85.6 t -119.79 -34.3 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 1.0 ' CE1' HD11 ' A' ' 55' ' ' ILE . 24.5 m-85 -132.55 125.3 30.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.806 ' O ' HG12 ' A' ' 32' ' ' VAL . 9.4 tp10 -137.62 150.56 47.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.426 ' O ' ' O ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -51.43 150.54 3.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.969 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.56 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 28.4 t30 -60.83 -143.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.56 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -85.82 -22.0 27.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.233 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -140.35 11.7 2.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 1.081 . . . . 0.0 110.291 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.93 13.65 83.43 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.485 1.116 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.28 -15.31 15.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 0.75 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -179.28 159.36 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.59 114.33 17.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.377 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.806 HG12 ' O ' ' A' ' 23' ' ' GLU . 7.2 p -97.86 162.98 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.792 ' CG1' HD11 ' A' ' 2' ' ' ILE . 52.5 t -94.51 146.4 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.245 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.513 ' CD1' ' CB ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -119.65 -35.35 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.475 ' C ' ' H ' ' A' ' 37' ' ' ASP . 3.3 t-20 -117.41 79.72 12.11 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.409 1.068 . . . . 0.0 109.389 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.562 ' HA ' ' CD1' ' A' ' 2' ' ' ILE . 18.1 Cg_endo -75.04 39.09 0.57 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.485 1.781 . . . . 0.0 110.955 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.475 ' H ' ' C ' ' A' ' 35' ' ' ASN . 52.2 t0 170.79 42.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.77 -165.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -171.79 33.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.96 HD11 HG21 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -94.19 -168.61 1.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.589 1.181 . . . . 0.0 109.262 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -115.11 1.7 13.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.253 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.932 ' SG ' HD22 ' A' ' 40' ' ' LEU . 5.5 p -88.93 12.29 15.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 108.355 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.86 HG23 ' CD1' ' A' ' 40' ' ' LEU . 3.9 t -90.6 -34.42 6.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.4 -38.07 63.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 0.0 110.337 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -81.91 -13.2 57.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.572 ' HB2' ' O ' ' A' ' 42' ' ' CYS . . . -89.19 -20.27 24.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.701 HG13 HG23 ' A' ' 55' ' ' ILE . 1.2 mp -96.56 -41.37 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.35 -31.71 72.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.3 m -74.9 -9.42 58.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.962 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.459 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 40.7 t -86.65 113.2 51.72 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 108.377 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -32.21 5.49 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.791 . . . . 0.0 110.938 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -84.79 -6.34 59.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.459 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 5.2 pt-20 37.73 35.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' A' ' 4' ' ' VAL . . . -77.69 -17.83 57.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 1.0 HD11 ' CE1' ' A' ' 22' ' ' PHE . 5.7 tt -87.9 104.62 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.6 m -104.99 154.89 6.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.953 ' O ' ' OXT' ' A' ' 58' ' ' SER . 83.8 mtm180 -104.99 48.13 0.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.953 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 1.0 110.033 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.663 HD11 ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.741 ' HB3' HG23 ' A' ' 56' ' ' VAL . 22.9 tp10 -135.64 149.91 49.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.595 1.184 . . . . 0.0 110.352 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.6 p -158.77 97.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.9 ' OD1' ' HB1' ' A' ' 54' ' ' ALA . 0.9 OUTLIER -53.83 -172.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.434 ' C ' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -102.66 -32.99 9.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 6' ' ' ASP . 48.5 m-20 -39.07 -31.63 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.472 ' HB2' ' CB ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -52.45 156.58 1.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 108.269 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.653 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -104.81 -82.94 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 111.04 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.653 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 166.83 62.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.414 1.072 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.6 t -70.2 -40.24 74.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 108.343 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 78.49 6.94 2.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.175 . . . . 0.0 110.265 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.17 -48.93 60.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.481 ' O ' HG22 ' A' ' 17' ' ' ILE . 31.5 p -61.64 -31.83 71.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 108.263 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.528 HG13 ' O ' ' A' ' 22' ' ' PHE . 82.2 t -75.83 -30.96 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.69 -7.64 59.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 110.268 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.614 ' O ' HD13 ' A' ' 17' ' ' ILE . 0.3 OUTLIER -110.34 -28.66 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.503 ' SG ' HG23 ' A' ' 21' ' ' VAL . 2.0 t -151.1 75.26 8.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 108.282 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.484 ' O ' ' CD1' ' A' ' 34' ' ' ILE . 18.5 Cg_endo -75.01 5.79 3.78 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 0.7 OUTLIER -104.13 -13.79 16.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.592 1.182 . . . . 0.0 109.26 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.794 HG21 HD11 ' A' ' 40' ' ' LEU . 93.3 t -112.95 -24.72 3.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.763 ' CE1' HG12 ' A' ' 21' ' ' VAL . 9.6 m-85 -145.69 122.8 11.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 24' ' ' MET . 9.1 tt0 -134.0 134.04 42.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.415 1.072 . . . . 0.0 110.326 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -35.32 151.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 111.043 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.576 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 29.7 t30 -63.64 -143.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.576 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -83.59 -21.63 32.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 110.291 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -144.62 15.38 1.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.243 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.35 13.46 76.44 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.0 -20.63 54.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 0.778 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -178.1 162.45 1.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.251 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.55 106.06 17.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 109.38 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.491 ' CG2' ' OD1' ' A' ' 25' ' ' ASN . 87.0 t -81.28 152.8 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.663 ' CG1' HD11 ' A' ' 2' ' ' ILE . 86.4 t -88.39 135.95 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -113.03 -28.96 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.56 ' O ' ' CD1' ' A' ' 2' ' ' ILE . 13.4 t-20 -112.84 90.26 15.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 0.0 109.366 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.451 ' HD3' ' O ' ' A' ' 34' ' ' ILE . 18.5 Cg_endo -74.91 25.92 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.781 . . . . 0.0 111.076 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.508 ' O ' ' C ' ' A' ' 38' ' ' SER . 28.8 t70 -174.11 38.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.534 ' OG ' ' N ' ' A' ' 39' ' ' ASP . 0.2 OUTLIER -31.03 -87.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.596 1.185 . . . . 0.0 110.031 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.534 ' N ' ' OG ' ' A' ' 38' ' ' SER . 2.2 t0 81.61 24.87 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.852 HD13 ' HB3' ' A' ' 42' ' ' CYS . 0.4 OUTLIER -119.08 177.7 4.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -94.58 49.14 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.852 ' HB3' HD13 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -115.59 -25.73 7.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 108.279 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.474 HG12 ' CD1' ' A' ' 47' ' ' ILE . 1.9 t -73.52 -33.47 39.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.29 -33.17 69.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.251 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.599 ' HG3' HD12 ' A' ' 17' ' ' ILE . 14.5 pt-20 -91.33 -21.23 21.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.514 ' HA ' HG21 ' A' ' 17' ' ' ILE . . . -82.52 -27.73 31.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 109.359 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.474 ' CD1' HG12 ' A' ' 43' ' ' VAL . 28.6 mt -82.75 -48.63 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.23 -38.1 76.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.227 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.5 m -75.01 -21.96 58.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.97 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 19.0 t -88.03 113.73 56.16 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 108.29 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -30.42 7.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.773 . . . . 0.0 111.037 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.485 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -81.39 -6.78 59.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 52' ' ' ALA . 3.9 pm0 31.84 48.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.266 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.9 ' HB1' ' OD1' ' A' ' 5' ' ' ASN . . . -78.1 -23.09 48.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.42 HD12 HG13 ' A' ' 47' ' ' ILE . 6.2 pt -92.02 129.29 42.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.741 HG23 ' HB3' ' A' ' 3' ' ' GLU . 6.3 m -138.74 162.04 29.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 58' ' ' SER . 0.5 OUTLIER -119.35 45.15 2.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.326 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 57' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.365 1.041 . . . . 1.0 109.989 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.836 HD12 ' HA ' ' A' ' 36' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.472 ' HB3' HG23 ' A' ' 56' ' ' VAL . 2.2 tp10 -164.43 143.59 7.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -114.94 155.12 16.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.614 ' HB2' ' HB1' ' A' ' 54' ' ' ALA . 1.5 t-20 -91.95 -148.16 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -125.13 -42.16 2.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -63.72 -32.86 74.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.466 ' HB2' ' CB ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -45.42 141.34 2.67 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 108.278 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.682 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 35.0 mtt -107.25 -70.62 0.79 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.682 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 164.57 67.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.98 -33.78 68.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 108.262 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.733 ' O ' HG22 ' A' ' 15' ' ' VAL . 2.2 mt-10 68.25 9.01 6.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.7 -38.73 73.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.641 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 18.3 p -62.54 -42.19 99.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 108.283 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.927 HG12 ' CB ' ' A' ' 22' ' ' PHE . 4.9 m -72.77 -31.36 36.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.561 1.163 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.15 -33.36 75.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.435 HG21 ' N ' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -88.14 -42.99 15.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.501 ' SG ' ' CG2' ' A' ' 21' ' ' VAL . 2.7 t -126.08 74.27 71.91 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 108.276 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 1.99 7.13 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.441 1.758 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.3 -11.86 18.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.407 1.067 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.501 ' CG2' ' SG ' ' A' ' 18' ' ' CYS . 55.5 t -113.22 -23.36 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.927 ' CB ' HG12 ' A' ' 15' ' ' VAL . 39.7 m-85 -142.43 141.37 32.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -146.58 130.33 17.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.18 . . . . 0.0 110.282 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -39.23 151.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 111.038 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.572 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 21.3 t30 -66.64 -147.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.351 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.572 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 2.2 tt0 -74.67 -24.9 58.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.165 . . . . 0.0 110.284 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -142.06 11.32 1.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.42 ' O ' ' HB1' ' A' ' 10' ' ' ALA . . . 74.79 25.81 68.67 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.449 1.093 . . . . 0.0 111.009 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.29 -12.72 59.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 0.718 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.49 104.81 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.85 117.77 1.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.562 HG12 ' N ' ' A' ' 33' ' ' VAL . 60.1 t -91.58 170.31 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.816 HG21 HG13 ' A' ' 2' ' ' ILE . 85.9 t -112.37 131.9 62.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.406 HG13 ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -99.08 -33.03 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.488 ' C ' ' H ' ' A' ' 37' ' ' ASP . 4.4 t-20 -116.59 82.15 12.18 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.571 1.17 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.836 ' HA ' HD12 ' A' ' 2' ' ' ILE . 18.5 Cg_endo -74.95 36.87 0.45 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.546 1.814 . . . . 0.0 110.961 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.488 ' H ' ' C ' ' A' ' 35' ' ' ASN . 24.0 t70 170.97 41.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 109.348 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.03 -167.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 109.96 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -171.22 32.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.503 HD12 ' SG ' ' A' ' 42' ' ' CYS . 0.6 OUTLIER -97.28 -148.47 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.248 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -137.48 12.15 2.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.394 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.503 ' SG ' HD12 ' A' ' 40' ' ' LEU . 2.3 p -87.41 -16.11 35.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 108.28 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.475 ' O ' HD12 ' A' ' 47' ' ' ILE . 2.1 t -77.47 -28.14 15.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -68.57 -27.29 65.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 110.276 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 49' ' ' SER . 0.4 OUTLIER -84.88 -32.53 23.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.641 ' HB1' ' HB2' ' A' ' 14' ' ' CYS . . . -65.38 -24.93 67.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.475 HD12 ' O ' ' A' ' 43' ' ' VAL . 0.8 OUTLIER -88.22 -53.65 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.1 -18.12 59.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 61.6 m -97.24 -19.99 18.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.03 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.469 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 15.9 t -83.59 113.12 44.85 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 108.281 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 49' ' ' SER . 18.2 Cg_endo -74.97 -32.08 5.73 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.483 1.78 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -80.76 -5.9 57.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.287 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.469 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 0.1 OUTLIER 36.65 34.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.614 ' HB1' ' HB2' ' A' ' 5' ' ' ASN . . . -77.45 -23.33 50.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.501 HG22 ' O ' ' A' ' 55' ' ' ILE . 0.3 OUTLIER -93.22 110.48 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.472 HG23 ' HB3' ' A' ' 3' ' ' GLU . 17.4 m -124.0 173.38 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.332 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 58' ' ' SER . 14.1 ptm180 -122.35 42.17 3.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.137 . . . . 0.0 110.233 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 57' ' ' ARG . 31.4 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 1.0 109.979 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.849 HD11 ' O ' ' A' ' 35' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.24 -165.47 1.97 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.105 . . . . 0.0 110.333 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.681 HG12 ' CA ' ' A' ' 55' ' ' ILE . 2.7 m -130.62 -110.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.564 ' OD1' ' HB1' ' A' ' 54' ' ' ALA . 0.2 OUTLIER 175.82 -171.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.58 -37.75 49.84 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -44.22 -51.07 8.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 9' ' ' MET . 0.1 OUTLIER -50.12 160.39 0.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 108.302 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.514 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 12.3 ttm -100.54 -88.31 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 110.985 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.546 ' HB1' ' O ' ' A' ' 28' ' ' GLY . . . 174.14 41.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.67 -26.93 67.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 108.283 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.812 ' O ' HG22 ' A' ' 15' ' ' VAL . 82.3 mt-10 59.36 17.97 6.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.62 -49.58 52.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.448 ' O ' HG22 ' A' ' 17' ' ' ILE . 1.2 p -52.75 -42.32 64.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 108.3 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.918 HG12 ' HB2' ' A' ' 22' ' ' PHE . 3.6 m -73.29 -29.23 27.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 109.33 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -14.86 63.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.782 HD12 ' OE2' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -108.48 -37.7 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.48 71.79 71.01 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.578 1.174 . . . . 0.0 108.254 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.473 ' HA ' ' O ' ' A' ' 22' ' ' PHE . 18.3 Cg_endo -74.95 3.95 5.14 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.499 1.789 . . . . 0.0 110.988 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -97.94 -13.02 21.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.828 HG21 HD11 ' A' ' 40' ' ' LEU . 61.0 t -114.09 -28.52 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.393 1.058 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.918 ' HB2' HG12 ' A' ' 15' ' ' VAL . 12.9 m-85 -135.36 137.73 42.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.082 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.438 ' O ' HG12 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -146.28 139.91 26.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 110.302 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.418 ' N ' ' HG2' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -41.74 142.06 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.549 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 21.3 t30 -61.94 -147.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.549 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 2.8 tt0 -74.19 -25.63 59.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.606 1.191 . . . . 0.0 110.249 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -135.44 6.19 3.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.546 ' O ' ' HB1' ' A' ' 10' ' ' ALA . . . 73.19 23.25 77.94 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.16 -7.52 54.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 0.741 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -171.62 133.01 0.76 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.232 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.83 112.43 1.64 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.466 HG23 ' OD1' ' A' ' 25' ' ' ASN . 0.5 OUTLIER -82.48 160.17 3.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.42 ' CG2' ' O ' ' A' ' 2' ' ' ILE . 87.5 t -110.6 129.39 65.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.434 HG13 ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -104.72 -39.81 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.849 ' O ' HD11 ' A' ' 2' ' ' ILE . 6.9 t-20 -116.26 86.38 17.41 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 29.76 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.479 1.778 . . . . 0.0 111.017 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.512 ' H ' ' C ' ' A' ' 35' ' ' ASN . 31.8 t70 -177.87 48.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.515 ' OG ' HG22 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -59.12 -161.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.012 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -171.38 32.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.886 HD22 ' SG ' ' A' ' 42' ' ' CYS . 0.3 OUTLIER -107.38 -169.07 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -115.24 15.87 16.92 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.886 ' SG ' HD22 ' A' ' 40' ' ' LEU . 4.6 p -102.05 17.84 22.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.272 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.667 HG23 ' CD1' ' A' ' 40' ' ' LEU . 7.0 t -103.09 -26.92 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -85.72 -23.44 27.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.782 ' OE2' HD12 ' A' ' 17' ' ' ILE . 22.2 pt-20 -85.08 -16.45 40.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 110.276 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.12 -19.03 30.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.75 HG12 HG23 ' A' ' 55' ' ' ILE . 50.2 mt -97.09 -45.06 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -59.37 -42.8 92.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.1 m -75.32 -9.15 58.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 39.7 t -88.01 112.97 52.67 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 108.26 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -32.79 5.19 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.458 1.767 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -82.14 -7.08 59.61 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.44 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 3.1 mt-10 35.93 36.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 0.0 110.315 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.564 ' HB1' ' OD1' ' A' ' 5' ' ' ASN . . . -78.03 -14.04 59.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.75 HG23 HG12 ' A' ' 47' ' ' ILE . 1.3 tt -86.57 112.12 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 m -111.17 158.04 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.579 1.174 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.503 ' O ' ' OXT' ' A' ' 58' ' ' SER . 4.1 ptt85 -121.0 48.28 1.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.503 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 19.1 t . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 1.0 109.977 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.792 ' O ' HG21 ' A' ' 33' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.466 ' CG ' HG23 ' A' ' 56' ' ' VAL . 5.3 pt-20 -117.85 167.78 11.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.398 1.061 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.418 HG22 ' N ' ' A' ' 5' ' ' ASN . 11.5 p -122.5 161.78 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.243 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.641 ' HB2' ' HB1' ' A' ' 54' ' ' ALA . 5.6 m-20 -91.13 -171.75 3.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.555 1.159 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -103.97 -27.26 12.26 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -62.45 -20.2 64.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.33 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.29 136.9 48.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 108.329 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.719 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -97.84 -16.1 19.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.18 . . . . 0.0 111.011 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 9' ' ' MET . . . 87.74 70.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.395 1.06 . . . . 0.0 109.335 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.57 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 0.6 OUTLIER -72.64 -40.92 66.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 108.318 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.57 ' CG ' ' O ' ' A' ' 11' ' ' CYS . 0.2 OUTLIER 90.05 7.87 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.42 -49.96 56.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.509 ' O ' HG22 ' A' ' 17' ' ' ILE . 21.7 p -62.44 -31.41 72.11 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.516 1.135 . . . . 0.0 108.333 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 22' ' ' PHE . 95.0 t -73.67 -31.4 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -83.71 -11.99 56.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.707 HD12 ' HG3' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -98.68 -33.05 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.458 ' SG ' HG23 ' A' ' 21' ' ' VAL . 0.7 OUTLIER -160.54 83.77 2.03 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.453 1.096 . . . . 0.0 108.318 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.511 ' O ' ' CD1' ' A' ' 34' ' ' ILE . 18.1 Cg_endo -75.01 5.4 4.01 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.467 1.772 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -100.03 -12.57 19.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.508 HG13 ' HB2' ' A' ' 38' ' ' SER . 25.1 t -112.16 -31.06 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.926 ' CE1' HD11 ' A' ' 55' ' ' ILE . 14.9 m-85 -140.82 127.44 20.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.484 ' CG ' ' N ' ' A' ' 24' ' ' MET . 9.0 tt0 -141.41 158.44 43.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.484 ' N ' ' CG ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -63.67 143.57 57.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 30' ' ' LYS . 13.1 p-10 -59.75 -154.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.98 -53.99 11.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -73.05 -4.8 34.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.474 ' N ' ' OD1' ' A' ' 25' ' ' ASN . . . 61.47 34.62 89.0 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.98 -1.5 8.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 109.363 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 25' ' ' ASN . 2.0 tptt -135.04 115.27 13.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.401 ' O ' HG11 ' A' ' 4' ' ' VAL . . . -72.35 100.07 2.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.547 HG12 ' N ' ' A' ' 33' ' ' VAL . 83.9 t -96.95 168.27 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.792 HG21 ' O ' ' A' ' 2' ' ' ILE . 24.5 t -92.79 144.1 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.088 . . . . 0.0 109.363 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.511 ' CD1' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -114.6 -32.67 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.598 ' O ' HD11 ' A' ' 2' ' ' ILE . 9.5 t-20 -111.18 96.66 31.61 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.538 ' C ' HD11 ' A' ' 2' ' ' ILE . 18.4 Cg_endo -74.99 24.63 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.461 1.769 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.589 ' O ' ' C ' ' A' ' 38' ' ' SER . 16.0 t0 -175.72 36.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.448 1.092 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.589 ' C ' ' O ' ' A' ' 37' ' ' ASP . 1.6 t -22.75 -77.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.048 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.558 ' CB ' ' O ' ' A' ' 38' ' ' SER . 4.8 t0 86.11 15.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.43 HD12 ' HB2' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -124.05 152.98 42.02 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.434 1.084 . . . . 0.0 109.253 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 44' ' ' GLU . 18.9 t70 -58.24 -16.38 13.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 46' ' ' ALA . 0.9 OUTLIER -41.92 -39.04 1.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 108.374 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.439 HG12 HD12 ' A' ' 47' ' ' ILE . 25.5 t -62.13 -49.0 85.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.353 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' ASP . 0.2 OUTLIER -57.63 -46.51 84.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.595 1.184 . . . . 0.0 110.348 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.707 ' HG3' HD12 ' A' ' 17' ' ' ILE . 16.0 pt-20 -78.11 -15.09 59.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.242 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 42' ' ' CYS . . . -88.53 -15.38 35.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.502 ' CG1' ' CG2' ' A' ' 55' ' ' ILE . 6.2 mt -98.93 -44.34 11.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.04 -15.83 60.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.428 ' O ' ' HD3' ' A' ' 51' ' ' PRO . 1.2 m -99.62 -16.1 18.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.954 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 44.6 t -88.52 112.13 48.17 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 108.337 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 49' ' ' SER . 18.1 Cg_endo -75.02 -33.6 4.43 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.789 . . . . 0.0 110.959 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -82.15 -7.0 59.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.095 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 52' ' ' ALA . 13.2 mt-10 34.12 45.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.373 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.641 ' HB1' ' HB2' ' A' ' 5' ' ' ASN . . . -78.29 -13.44 59.85 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.926 HD11 ' CE1' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -88.55 108.7 19.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.466 HG23 ' CG ' ' A' ' 3' ' ' GLU . 3.1 m -108.5 154.17 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.357 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.731 ' O ' ' OXT' ' A' ' 58' ' ' SER . 7.9 mtt180 -104.12 51.98 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.731 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 31.6 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 1.0 110.0 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.668 ' O ' HG21 ' A' ' 33' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -116.53 163.4 16.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.254 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.0 p -121.37 149.68 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.669 ' HB2' ' HB1' ' A' ' 54' ' ' ALA . 4.1 m-20 -84.0 -171.48 3.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -109.24 -27.73 9.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -21.68 65.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -55.09 150.44 10.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.405 1.066 . . . . 0.0 108.277 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.676 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 2.1 tpp -108.04 -70.94 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.676 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 162.96 58.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.416 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 4.1 m -70.09 -28.69 65.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 108.3 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.508 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 0.3 OUTLIER 59.54 14.16 3.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.43 -48.58 55.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.461 ' O ' HG22 ' A' ' 17' ' ' ILE . 30.7 p -61.67 -33.63 74.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 108.296 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.7 t -75.03 -30.87 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -81.84 -16.02 52.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.158 . . . . 0.0 110.332 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.704 HD12 ' HG3' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -94.9 -42.53 12.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.502 ' SG ' HG23 ' A' ' 21' ' ' VAL . 0.7 OUTLIER -147.93 84.42 6.93 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 108.309 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.424 ' O ' ' CD1' ' A' ' 34' ' ' ILE . 18.2 Cg_endo -75.05 3.16 5.89 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.521 1.801 . . . . 0.0 110.937 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 4.2 t70 -99.21 -13.4 19.74 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.671 HG13 ' HB2' ' A' ' 38' ' ' SER . 48.1 t -109.21 -31.59 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.549 ' CZ ' HG21 ' A' ' 55' ' ' ILE . 61.0 m-85 -135.12 124.94 25.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.512 ' CG ' ' N ' ' A' ' 24' ' ' MET . 1.3 tt0 -126.04 161.73 26.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 110.334 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.512 ' N ' ' CG ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -77.24 143.33 39.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.462 ' OD1' ' N ' ' A' ' 28' ' ' GLY . 12.0 p-10 -64.86 -157.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -67.0 -54.59 20.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.385 1.053 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -77.54 0.65 22.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.462 ' N ' ' OD1' ' A' ' 25' ' ' ASN . . . 57.17 29.95 60.38 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.458 1.099 . . . . 0.0 111.017 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.5 OUTLIER -117.35 -9.27 10.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 0.773 . . . . 0.0 109.26 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.431 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.3 ttpt -121.18 111.85 17.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.24 99.65 0.94 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.351 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.556 HG12 ' N ' ' A' ' 33' ' ' VAL . 58.3 t -90.36 168.77 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.668 HG21 ' O ' ' A' ' 2' ' ' ILE . 59.3 t -96.73 148.58 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.539 HG13 ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -126.8 -33.5 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.357 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.515 ' O ' ' CD1' ' A' ' 2' ' ' ILE . 32.5 t-20 -113.95 88.4 14.38 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 34' ' ' ILE . 18.2 Cg_endo -75.05 40.1 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.489 1.784 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.457 ' H ' ' C ' ' A' ' 35' ' ' ASN . 36.0 t70 177.44 37.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.671 ' HB2' HG13 ' A' ' 21' ' ' VAL . 39.1 t -58.72 -83.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.476 1.11 . . . . 0.0 110.049 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 t0 47.18 40.95 10.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.565 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 1.8 pp -113.39 27.64 9.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.565 ' CB ' ' O ' ' A' ' 40' ' ' LEU . 10.7 t0 87.49 -36.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.165 . . . . 0.0 109.249 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.535 ' O ' ' CB ' ' A' ' 46' ' ' ALA . 1.2 m -49.58 -34.54 18.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 108.384 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.672 HG12 HD12 ' A' ' 47' ' ' ILE . 98.7 t -69.22 -34.21 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 41' ' ' ASP . 23.7 tt0 -70.55 -38.08 74.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.704 ' HG3' HD12 ' A' ' 17' ' ' ILE . 11.0 pt-20 -87.35 -23.83 24.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.251 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.535 ' CB ' ' O ' ' A' ' 42' ' ' CYS . . . -78.82 -22.12 46.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.672 HD12 HG12 ' A' ' 43' ' ' VAL . 5.8 mt -90.53 -48.43 14.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -58.93 -38.84 79.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 93.5 p -74.23 -19.67 60.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.98 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 42.5 t -87.2 113.32 53.23 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 108.283 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -31.53 6.11 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.546 1.813 . . . . 0.0 111.044 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.455 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -84.19 -6.8 59.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 52' ' ' ALA . 1.7 pt-20 34.81 46.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 110.268 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.669 ' HB1' ' HB2' ' A' ' 5' ' ' ASN . . . -79.97 -11.7 59.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.549 HG21 ' CZ ' ' A' ' 22' ' ' PHE . 5.9 mt -87.89 112.14 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.246 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.5 m -117.61 168.8 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -104.68 51.54 0.76 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.548 1.155 . . . . 1.0 109.984 -179.946 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.613 HG13 ' CE1' ' A' ' 22' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.605 ' HB3' HG23 ' A' ' 56' ' ' VAL . 2.2 tt0 -97.57 152.39 19.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.441 1.088 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.801 ' HA ' HD13 ' A' ' 55' ' ' ILE . 2.4 p -125.5 2.84 4.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.198 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 m120 56.29 -172.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -119.44 -32.61 4.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.261 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -58.75 -16.55 17.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -53.21 161.03 0.95 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.128 . . . . 0.0 108.257 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.702 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -102.83 -84.66 0.46 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.702 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 162.45 59.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -72.84 -29.26 63.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 108.26 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.413 ' HG2' ' CE ' ' A' ' 24' ' ' MET . 0.8 OUTLIER 68.22 8.43 6.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.251 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.61 -47.99 61.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.4 p -60.51 -34.78 74.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 108.356 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 22' ' ' PHE . 84.4 t -73.82 -31.29 30.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -75.89 -16.58 60.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.311 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.671 ' CG2' ' HB2' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -97.5 -46.24 12.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.337 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.555 ' SG ' HG23 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -137.65 78.05 38.06 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 108.304 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 2.26 6.86 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.524 1.802 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.09 -8.42 22.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.555 HG23 ' SG ' ' A' ' 18' ' ' CYS . 47.0 t -112.01 -31.67 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.613 ' CE1' HG13 ' A' ' 2' ' ' ILE . 29.0 m-85 -133.23 117.59 17.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.956 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.453 ' CA ' ' OE1' ' A' ' 23' ' ' GLU . 1.5 tp10 -120.65 122.99 41.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 110.315 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.444 ' N ' ' OE1' ' A' ' 23' ' ' GLU . 3.5 mtt -37.74 148.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.594 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 32.3 t30 -60.6 -143.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.594 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 5.3 tt0 -99.84 -14.5 18.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.307 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -114.05 -8.23 13.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.243 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.403 ' HA2' ' HB3' ' A' ' 24' ' ' MET . . . 70.88 38.85 65.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.63 1.77 8.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 0.759 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 25' ' ' ASN . 6.4 ttpt -157.53 124.68 5.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.653 ' O ' HG11 ' A' ' 4' ' ' VAL . . . -79.07 107.52 11.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.414 HG21 ' OD1' ' A' ' 25' ' ' ASN . 57.3 t -84.28 149.54 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.378 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.534 HG13 HD11 ' A' ' 2' ' ' ILE . 21.7 t -80.7 140.75 16.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.534 1.147 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.456 HG13 ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -119.76 -37.92 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.47 ' C ' ' H ' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -115.52 86.73 15.66 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.411 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 17.9 Cg_endo -75.07 38.75 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.494 1.786 . . . . 0.0 110.977 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.47 ' H ' ' C ' ' A' ' 35' ' ' ASN . 21.2 t0 174.21 41.37 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.528 ' OG ' HD11 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -82.31 -81.36 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.5 t70 54.86 50.93 14.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.071 . . . . 0.0 109.246 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.602 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -85.37 9.83 14.42 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.587 1.18 . . . . 0.0 109.352 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.602 ' CB ' ' O ' ' A' ' 40' ' ' LEU . 10.4 t70 90.71 2.54 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.362 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.576 ' SG ' HD12 ' A' ' 40' ' ' LEU . 4.1 p -104.56 11.92 33.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.304 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.882 ' O ' HD12 ' A' ' 47' ' ' ILE . 15.7 t -92.25 -27.31 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -79.96 -34.99 38.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.656 ' OE2' HD12 ' A' ' 17' ' ' ILE . 6.2 pt-20 -81.16 -9.5 59.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.671 ' HB2' ' CG2' ' A' ' 17' ' ' ILE . . . -92.11 -22.5 19.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.882 HD12 ' O ' ' A' ' 43' ' ' VAL . 3.6 mt -91.0 -45.19 14.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.37 -43.18 88.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 70.5 m -71.0 -17.89 62.62 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.404 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 15.2 t -86.83 114.02 56.1 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 108.304 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -28.33 9.25 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.479 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -81.91 -6.86 59.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.479 ' C ' ' O ' ' A' ' 52' ' ' ALA . 0.2 OUTLIER 32.98 45.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.87 -11.64 59.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.801 HD13 ' HA ' ' A' ' 4' ' ' VAL . 6.6 mm -87.78 129.86 38.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.605 HG23 ' HB3' ' A' ' 3' ' ' GLU . 2.5 m -138.3 173.24 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.581 1.175 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.442 ' O ' ' OXT' ' A' ' 58' ' ' SER . 9.8 ptm180 -109.05 17.72 21.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.442 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 9.4 t . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 1.0 110.011 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.642 HD11 ' CG1' ' A' ' 33' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -140.69 153.76 46.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.361 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.408 HG22 ' H ' ' A' ' 5' ' ' ASN . 1.2 p -103.04 171.08 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.374 1.046 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.903 ' HB2' ' HB1' ' A' ' 54' ' ' ALA . 11.9 m-20 -114.0 -170.2 1.67 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -105.36 -35.17 7.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.181 . . . . 0.0 109.34 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.21 -18.89 64.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -53.84 145.09 16.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 108.286 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.737 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 8.4 ttt -98.07 -24.09 15.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.737 ' HB3' ' O ' ' A' ' 9' ' ' MET . . . 90.88 65.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.222 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -31.08 64.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 108.326 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 77.37 8.66 2.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.332 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.78 -49.9 48.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.356 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 1.002 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 19.4 p -61.21 -30.72 70.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.095 . . . . 0.0 108.314 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.554 HG11 ' HG3' ' A' ' 24' ' ' MET . 87.7 t -74.43 -38.89 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.78 -24.0 52.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.444 HG21 ' N ' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -86.65 -38.41 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.516 ' SG ' HG23 ' A' ' 21' ' ' VAL . 1.4 t -141.32 73.1 25.88 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 108.358 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HB3' ' O ' ' A' ' 15' ' ' VAL . 18.5 Cg_endo -74.9 4.26 4.84 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.432 1.754 . . . . 0.0 111.065 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -102.73 -8.2 21.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.516 HG23 ' SG ' ' A' ' 18' ' ' CYS . 58.1 t -116.37 -31.76 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.462 ' C ' HD11 ' A' ' 34' ' ' ILE . 36.8 m-85 -133.48 125.43 28.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.422 1.076 . . . . 0.0 111.004 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.445 ' CB ' ' CD1' ' A' ' 34' ' ' ILE . 1.7 tt0 -123.0 130.05 52.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.419 1.075 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.554 ' HG3' HG11 ' A' ' 15' ' ' VAL . 2.9 mtm -38.04 156.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 110.987 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.624 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 26.5 t30 -75.21 -147.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.624 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 5.3 tt0 -68.27 -22.89 64.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 0.0 110.277 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -149.56 15.44 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.29 28.03 68.81 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -87.99 -7.85 56.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 0.756 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 31' ' ' ALA . 6.4 tttm -169.23 89.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' LYS . . . -39.33 121.78 1.21 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.554 HG12 ' N ' ' A' ' 33' ' ' VAL . 43.5 t -97.15 169.83 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.642 ' CG1' HD11 ' A' ' 2' ' ' ILE . 61.4 t -98.17 143.96 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.462 HD11 ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -120.13 -36.33 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.496 ' C ' ' H ' ' A' ' 37' ' ' ASP . 5.1 t-20 -115.69 86.69 16.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.4 1.063 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.556 ' HA ' ' CD1' ' A' ' 2' ' ' ILE . 18.4 Cg_endo -74.98 33.43 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.468 1.773 . . . . 0.0 111.034 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.496 ' H ' ' C ' ' A' ' 35' ' ' ASN . 27.1 t70 171.24 42.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.09 -169.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.041 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.61 30.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.464 HD23 ' N ' ' A' ' 40' ' ' LEU . 2.9 mt -90.94 -167.42 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -125.24 27.89 6.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.579 1.175 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.464 ' HA ' ' HG3' ' A' ' 45' ' ' GLU . 0.8 OUTLIER -106.18 -10.94 16.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 108.31 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 46' ' ' ALA . 59.9 t -72.1 -55.73 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.33 -24.46 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.414 1.071 . . . . 0.0 110.277 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 49' ' ' SER . 0.3 OUTLIER -88.06 -35.11 17.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 1.002 ' HB1' ' HB2' ' A' ' 14' ' ' CYS . . . -64.38 -23.39 67.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -90.64 -51.39 11.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.52 -22.08 66.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.163 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 53.5 m -91.08 -15.63 29.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.009 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 51.8 t -88.63 112.6 51.3 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 108.253 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 49' ' ' SER . 18.2 Cg_endo -75.03 -32.88 4.97 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.485 1.782 . . . . 0.0 110.956 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -85.06 -7.03 59.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 52' ' ' ALA . 2.4 tm-20 35.58 45.73 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.903 ' HB1' ' HB2' ' A' ' 5' ' ' ASN . . . -79.5 -16.07 56.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.844 HD11 ' O ' ' A' ' 46' ' ' ALA . 9.9 pt -88.7 117.08 31.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 m -112.91 162.33 11.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 0.0 109.241 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.932 ' O ' ' OXT' ' A' ' 58' ' ' SER . 58.2 mtm180 -105.16 39.64 1.68 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.932 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 12.0 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 1.0 109.964 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.973 HD11 HG11 ' A' ' 33' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.454 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . 2.3 tp10 -152.37 156.9 40.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.502 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 3.2 p -136.32 -44.64 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.362 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 4' ' ' VAL . 0.5 OUTLIER 82.81 -171.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.85 -12.55 13.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.6 -20.37 65.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.473 ' SG ' ' N ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -56.25 162.38 2.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 108.276 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.686 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 7.2 mtm -98.86 -90.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.051 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 162.27 50.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.403 ' O ' ' CB ' ' A' ' 12' ' ' GLU . 4.3 p -72.71 -40.88 65.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.065 . . . . 0.0 108.302 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 11' ' ' CYS . 41.2 tt0 79.61 16.2 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.24 -50.31 48.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.42 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 22.7 p -62.82 -30.86 71.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 108.334 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 22' ' ' PHE . 40.8 t -73.82 -34.42 40.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.24 -19.4 53.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.547 HD12 ' HG3' ' A' ' 45' ' ' GLU . 0.5 OUTLIER -91.4 -38.51 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 109.327 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.16 78.87 9.34 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.298 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.459 ' HA ' ' O ' ' A' ' 22' ' ' PHE . 18.4 Cg_endo -74.97 4.03 5.08 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.51 1.795 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -98.1 -15.13 20.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.232 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.873 HG21 HD11 ' A' ' 40' ' ' LEU . 47.5 t -113.79 -25.5 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.543 ' O ' HG22 ' A' ' 15' ' ' VAL . 29.4 m-85 -139.59 122.22 16.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.478 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 6.2 tt0 -137.87 145.0 41.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.245 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.428 ' HB3' ' HA2' ' A' ' 28' ' ' GLY . 2.6 mtp -55.25 150.44 11.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 30' ' ' LYS . 12.7 p-10 -67.46 -155.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.74 -53.06 20.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 110.327 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -73.96 -5.28 40.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 110.262 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.457 ' N ' ' OD1' ' A' ' 25' ' ' ASN . . . 61.0 34.1 86.56 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.55 -2.66 8.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 25' ' ' ASN . 4.2 tptm -132.81 121.68 23.33 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.89 100.93 3.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.508 HG12 ' N ' ' A' ' 33' ' ' VAL . 79.3 t -92.11 166.03 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.973 HG11 HD11 ' A' ' 2' ' ' ILE . 60.2 t -97.43 144.33 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -116.09 -31.37 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.479 ' C ' ' H ' ' A' ' 37' ' ' ASP . 3.1 t-20 -117.95 79.09 13.43 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.587 ' HA ' ' CD1' ' A' ' 2' ' ' ILE . 18.4 Cg_endo -74.97 38.39 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.455 1.766 . . . . 0.0 111.04 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.479 ' H ' ' C ' ' A' ' 35' ' ' ASN . 19.1 t0 172.55 43.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.223 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -164.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.473 1.108 . . . . 0.0 110.003 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -171.48 33.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.24 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.873 HD11 HG21 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -113.11 -175.63 2.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 109.347 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 44' ' ' GLU . 10.1 t70 -98.77 -18.06 18.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.746 ' SG ' HD13 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -42.63 -30.58 0.38 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.168 . . . . 0.0 108.294 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.465 HG12 ' CD1' ' A' ' 47' ' ' ILE . 21.4 t -62.33 -51.67 69.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.37 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 41' ' ' ASP . 6.6 mt-10 -55.5 -43.19 75.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.547 ' HG3' HD12 ' A' ' 17' ' ' ILE . 21.7 pt-20 -83.06 0.28 45.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.484 ' HB2' ' O ' ' A' ' 42' ' ' CYS . . . -103.28 -20.0 14.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.523 ' CG1' HG22 ' A' ' 55' ' ' ILE . 1.0 OUTLIER -96.99 -40.09 9.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.54 -31.74 72.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.3 m -82.59 -7.83 59.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.449 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 48.1 t -88.3 112.9 52.65 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.397 1.061 . . . . 0.0 108.31 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -32.68 5.28 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.428 1.751 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -84.97 -7.2 59.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.449 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 1.1 mm-40 34.51 45.86 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.71 -21.9 40.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.085 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.523 HG22 ' CG1' ' A' ' 47' ' ' ILE . 7.1 mt -88.49 139.39 17.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.333 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.454 ' CG2' ' HB3' ' A' ' 3' ' ' GLU . 5.0 m -141.47 -178.33 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.643 ' O ' ' OXT' ' A' ' 58' ' ' SER . 0.8 OUTLIER -118.56 47.5 1.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.323 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.643 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 1.0 110.004 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.412 ' O ' ' OE2' ' A' ' 3' ' ' GLU . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.779 HD11 ' CG1' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -51.17 142.99 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 55' ' ' ILE . 3.3 mt-10 -135.19 142.88 46.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.334 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.771 HG21 ' HB3' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -103.89 15.68 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 60.3 -169.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -112.13 -28.35 8.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.356 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -60.16 -21.47 61.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.354 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.414 ' HB2' ' CB ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -55.78 157.99 3.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 108.348 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.631 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 5.4 mtt -108.64 -84.61 0.54 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.631 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 168.0 59.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.3 t -72.08 -29.82 64.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.143 . . . . 0.0 108.265 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 70.13 14.01 7.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.471 ' HB3' ' S4 ' ' A' ' 59' ' ' F3S . . . -69.02 -49.26 59.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.417 ' O ' HG22 ' A' ' 17' ' ' ILE . 26.8 p -61.9 -31.58 71.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 108.304 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.776 HG22 ' O ' ' A' ' 22' ' ' PHE . 79.5 t -75.44 -30.61 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.31 -10.04 59.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.672 HD12 ' HG3' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -103.06 -43.11 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -148.73 84.35 6.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 108.298 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.412 ' O ' ' CD1' ' A' ' 34' ' ' ILE . 18.2 Cg_endo -75.0 4.0 5.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.478 1.778 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.12 -10.79 22.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.643 HG21 HD11 ' A' ' 40' ' ' LEU . 49.4 t -114.03 -34.1 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.776 ' O ' HG22 ' A' ' 15' ' ' VAL . 30.4 m-85 -136.34 121.08 18.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.485 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 4.8 tt0 -129.63 158.33 39.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.48 ' N ' ' CG ' ' A' ' 23' ' ' GLU . 0.4 OUTLIER -62.26 146.71 50.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.967 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.537 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 23.0 t30 -60.89 -144.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.537 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -81.52 -24.59 36.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.27 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -133.84 5.92 3.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.55 22.05 79.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -80.5 -4.77 55.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -167.85 148.6 5.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.771 ' HB3' HG21 ' A' ' 4' ' ' VAL . . . -77.27 111.67 13.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 23' ' ' GLU . 0.4 OUTLIER -93.79 145.72 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.779 ' CG1' HD11 ' A' ' 2' ' ' ILE . 35.4 t -85.58 145.76 7.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.485 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -120.68 -33.54 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.495 ' C ' ' H ' ' A' ' 37' ' ' ASP . 2.9 t-20 -116.73 80.81 11.08 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.536 ' HA ' ' CD1' ' A' ' 2' ' ' ILE . 18.2 Cg_endo -75.0 35.09 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.461 1.769 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.495 ' H ' ' C ' ' A' ' 35' ' ' ASN . 48.0 t0 175.23 42.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.421 ' OG ' HD11 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -58.93 -162.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.038 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -170.59 32.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.976 HD13 ' HB2' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -123.65 169.13 11.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 44' ' ' GLU . 21.0 t70 -81.96 -1.73 49.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.976 ' HB2' HD13 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -52.45 -29.05 22.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 108.292 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.789 ' O ' HD12 ' A' ' 47' ' ' ILE . 25.6 t -69.91 -30.25 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.9 mt-10 -74.34 -39.85 62.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.672 ' HG3' HD12 ' A' ' 17' ' ' ILE . 12.0 pt-20 -84.39 -27.6 27.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.256 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 42' ' ' CYS . . . -73.82 -23.41 59.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.789 HD12 ' O ' ' A' ' 43' ' ' VAL . 5.6 mt -90.52 -50.84 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -57.18 -51.78 67.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.1 m -61.15 -17.27 52.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.986 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 15.9 t -88.09 113.61 55.69 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 108.29 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.55 9.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.439 1.758 . . . . 0.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -81.26 -7.92 59.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 52' ' ' ALA . 1.7 tt0 36.19 45.41 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.591 ' HB1' ' O ' ' A' ' 4' ' ' VAL . . . -82.72 -12.31 57.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.641 HD13 HG12 ' A' ' 4' ' ' VAL . 2.5 mm -86.86 129.12 38.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -145.52 153.24 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.805 ' O ' ' OXT' ' A' ' 58' ' ' SER . 65.8 mtm-85 -87.74 43.22 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.805 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 2.4 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 1.0 109.991 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' F3S . . . . . 0.548 ' S2 ' ' HB2' ' A' ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.802 ' HB2' HD13 ' A' ' 2' ' ' ILE . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 111.0 -0.423 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.931 HD11 ' O ' ' A' ' 35' ' ' ASN . 0.1 OUTLIER -137.94 108.69 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.71 150.8 39.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.279 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.519 HG11 ' O ' ' A' ' 31' ' ' ALA . 2.8 p -114.83 140.19 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.57 ' HB2' ' HB1' ' A' ' 54' ' ' ALA . 6.4 m-20 -78.81 -172.22 2.92 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -104.75 -14.82 15.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -28.52 69.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.6 t -55.06 145.84 19.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 108.273 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.628 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 4.3 mmt -98.5 -68.06 0.82 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 167.78 48.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.378 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 78.6 m -73.15 -37.79 66.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 108.352 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 58.66 25.17 12.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.174 . . . . 0.0 110.343 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.68 -49.11 61.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.932 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 1.7 m -63.12 -29.62 70.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 108.287 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.535 HG22 ' CB ' ' A' ' 22' ' ' PHE . 79.4 t -74.86 -32.81 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.91 -16.47 59.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.489 HD12 ' OE2' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -103.43 -31.3 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.352 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.535 ' SG ' ' CG2' ' A' ' 21' ' ' VAL . 5.3 t -144.52 72.95 15.69 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 108.279 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 4.31 4.86 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.498 1.789 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.83 -11.39 18.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.378 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.535 ' CG2' ' SG ' ' A' ' 18' ' ' CYS . 69.6 t -115.52 -20.83 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.535 ' CB ' HG22 ' A' ' 15' ' ' VAL . 34.4 m-85 -139.0 134.82 33.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 110.963 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -149.92 136.22 18.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.423 ' HB3' ' HA2' ' A' ' 28' ' ' GLY . 0.9 OUTLIER -51.79 145.92 8.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 28' ' ' GLY . 11.6 p-10 -61.18 -155.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -70.27 -53.86 15.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.427 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 1.9 mm-40 -71.04 -14.04 62.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.342 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.487 ' N ' ' OD1' ' A' ' 25' ' ' ASN . . . 67.27 40.05 92.1 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.587 1.179 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.97 -12.23 12.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 0.776 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -136.65 137.64 40.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.519 ' O ' HG11 ' A' ' 4' ' ' VAL . . . -84.77 96.22 9.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.249 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.4 t -83.21 146.08 7.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.571 HG21 ' O ' ' A' ' 2' ' ' ILE . 74.0 t -77.48 137.02 23.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.476 HG13 ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -110.28 -32.44 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.208 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.931 ' O ' HD11 ' A' ' 2' ' ' ILE . 11.3 t-20 -113.04 92.18 20.62 Favored Pre-proline 0 C--N 1.323 -0.548 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.464 ' O ' ' CG ' ' A' ' 1' ' ' PRO . 18.2 Cg_endo -74.93 32.84 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.41 1.742 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.507 ' H ' ' C ' ' A' ' 35' ' ' ASN . 28.6 t70 177.26 40.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.724 ' OG ' HD12 ' A' ' 40' ' ' LEU . 12.5 t -31.42 -69.37 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.01 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.406 ' CB ' ' O ' ' A' ' 38' ' ' SER . 9.0 t70 75.74 9.63 3.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.724 HD12 ' OG ' ' A' ' 38' ' ' SER . 0.7 OUTLIER -85.99 -144.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 41' ' ' ASP . 8.9 t70 -140.37 13.38 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.6 p -95.81 -10.64 28.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 108.235 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.558 HG12 HD12 ' A' ' 47' ' ' ILE . 71.3 t -69.43 -35.47 67.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.34 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.51 -41.35 96.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.489 ' OE2' HD12 ' A' ' 17' ' ' ILE . 18.6 pt-20 -81.34 -8.37 59.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.253 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.932 ' HB1' ' HB3' ' A' ' 14' ' ' CYS . . . -95.42 -13.44 24.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.558 HD12 HG12 ' A' ' 43' ' ' VAL . 3.6 mt -105.39 -47.72 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.226 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.33 -43.22 96.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.1 m -71.67 -9.05 57.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 110.006 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.509 ' SG ' ' CD1' ' A' ' 55' ' ' ILE . 49.3 t -87.4 113.99 56.64 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.315 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -32.03 5.79 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -88.93 -8.69 53.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 109.347 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 52' ' ' ALA . 41.0 mt-10 37.73 50.56 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.57 ' HB1' ' HB2' ' A' ' 5' ' ' ASN . . . -77.45 -10.7 59.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.735 HD11 ' S3 ' ' A' ' 59' ' ' F3S . 3.8 mp -87.02 110.52 20.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.1 m -113.83 165.65 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.461 ' O ' ' OXT' ' A' ' 58' ' ' SER . 0.1 OUTLIER -90.31 35.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.461 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 1.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' F3S . . . . . 0.735 ' S3 ' HD11 ' A' ' 55' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.418 ' HG3' ' O ' ' A' ' 36' ' ' PRO . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.908 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 1.004 HD11 HG11 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -130.74 158.45 43.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.441 ' O ' ' HA ' ' A' ' 55' ' ' ILE . 10.9 tt0 -148.92 141.85 24.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.264 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.439 HG23 ' S3 ' ' A' ' 59' ' ' F3S . 7.4 p -107.61 -23.8 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 4' ' ' VAL . 76.4 m-20 63.97 -171.12 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -107.63 -6.05 17.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -67.28 -39.65 86.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.469 ' SG ' ' N ' ' A' ' 9' ' ' MET . 0.8 OUTLIER -47.98 162.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 108.291 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.622 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 1.0 OUTLIER -103.01 -77.36 0.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 111.012 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.622 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 168.8 41.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 m -66.51 -37.33 84.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 108.329 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.41 ' CD ' ' CG ' ' A' ' 24' ' ' MET . 1.3 mt-10 58.85 17.93 5.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.358 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.68 -47.38 72.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.63 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 1.2 m -61.91 -31.51 71.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 108.303 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.706 HG22 ' HB2' ' A' ' 22' ' ' PHE . 66.6 t -75.7 -29.82 20.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.77 9.98 3.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 110.262 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.721 HD11 ' OE1' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -133.95 -43.66 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.579 1.174 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.4 t -125.29 74.14 67.7 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 108.291 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD3' ' C ' ' A' ' 17' ' ' ILE . 18.4 Cg_endo -75.05 2.1 7.03 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.569 1.826 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -101.17 -11.92 19.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.241 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.587 HG12 ' CE1' ' A' ' 22' ' ' PHE . 62.8 t -112.35 -26.44 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.706 ' HB2' HG22 ' A' ' 15' ' ' VAL . 25.0 m-85 -139.05 133.84 32.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -141.19 136.87 32.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.322 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.423 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -40.92 153.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 111.042 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.612 ' OD1' ' N ' ' A' ' 28' ' ' GLY . 20.0 p-10 -91.48 -150.85 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.518 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 2.4 tt0 -43.44 -36.11 1.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.265 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.453 ' CG ' ' C ' ' A' ' 26' ' ' GLU . 4.3 mt-10 -154.56 31.07 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.612 ' N ' ' OD1' ' A' ' 25' ' ' ASN . . . 69.08 11.14 63.22 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -58.04 -17.18 16.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 109.296 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.7 pttt -167.33 109.2 0.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.75 104.62 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.568 HG12 ' N ' ' A' ' 33' ' ' VAL . 53.2 t -76.08 169.96 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.004 HG11 HD11 ' A' ' 2' ' ' ILE . 59.6 t -105.24 141.98 19.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.463 HG13 ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -118.72 -31.01 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.475 ' C ' ' H ' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -115.51 82.29 9.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.599 ' HA ' ' CD1' ' A' ' 2' ' ' ILE . 18.2 Cg_endo -74.94 37.58 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.515 1.797 . . . . 0.0 110.968 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.475 ' H ' ' C ' ' A' ' 35' ' ' ASN . 34.6 t0 179.17 40.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.366 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.464 ' CB ' HG22 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -83.43 -76.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.963 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 t0 40.25 46.38 1.93 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 1.157 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.697 ' O ' HD12 ' A' ' 40' ' ' LEU . 2.5 pp -108.97 44.16 1.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 44' ' ' GLU . 18.0 t0 79.49 -51.35 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.9 t -43.33 -30.39 0.51 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 108.237 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.429 ' N ' ' C ' ' A' ' 41' ' ' ASP . 2.5 t -76.47 -46.4 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 41' ' ' ASP . 8.3 mt-10 -56.86 -32.92 66.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.356 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.721 ' OE1' HD11 ' A' ' 17' ' ' ILE . 9.4 pt-20 -89.24 -4.59 58.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.335 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.63 ' HB1' ' HB3' ' A' ' 14' ' ' CYS . . . -100.73 -15.8 17.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.471 ' CG1' ' CG2' ' A' ' 55' ' ' ILE . 6.0 mt -99.43 -36.07 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -65.34 -19.64 66.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.44 ' O ' ' HD3' ' A' ' 51' ' ' PRO . 48.7 m -99.73 -1.03 38.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 110.053 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 53.8 t -88.68 111.64 45.43 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.455 1.097 . . . . 0.0 108.328 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' A' ' 49' ' ' SER . 18.3 Cg_endo -75.01 -32.51 5.3 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.468 1.772 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -85.82 -6.68 59.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.24 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.45 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 4.0 tt0 38.22 38.45 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.85 -9.74 58.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.471 ' CG2' ' CG1' ' A' ' 47' ' ' ILE . 1.0 OUTLIER -85.46 119.7 34.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.61 1.194 . . . . 0.0 109.332 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.421 HG23 ' HB3' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -128.49 162.03 36.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 1' ' ' PRO . 0.1 OUTLIER -95.87 48.87 1.14 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 1.0 109.981 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 59' ' ' F3S . . . . . 0.462 ' S3 ' ' CG1' ' A' ' 55' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 1.113 ' HA ' ' OXT' ' A' ' 58' ' ' SER . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.917 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.791 HD13 ' HA ' ' A' ' 37' ' ' ASP . 2.0 mp -81.08 73.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.627 ' HA ' HG21 ' A' ' 33' ' ' VAL . 11.3 mt-10 -135.31 -156.13 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.711 HG11 ' S3 ' ' A' ' 59' ' ' F3S . 0.4 OUTLIER -127.36 -104.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 5' ' ' ASN . 0.2 OUTLIER 178.01 -171.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -93.56 3.51 55.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.338 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.9 -41.72 11.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.597 1.186 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -45.38 162.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 108.242 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.652 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -106.69 -86.35 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.652 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 166.5 61.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.392 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 12' ' ' GLU . 1.8 t -72.22 -30.09 64.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 108.275 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.497 ' OE2' ' CG ' ' A' ' 24' ' ' MET . 1.2 tt0 73.14 10.68 5.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 110.284 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.515 ' HB3' ' S4 ' ' A' ' 59' ' ' F3S . . . -70.09 -49.39 51.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.627 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 20.3 p -56.6 -42.15 78.24 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 0.0 108.244 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.765 HG22 ' O ' ' A' ' 22' ' ' PHE . 51.2 t -71.45 -30.39 39.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -85.0 41.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.323 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -170.37 -40.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.495 ' SG ' ' CG2' ' A' ' 21' ' ' VAL . 1.7 t -132.7 68.03 78.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 108.234 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 0.81 8.48 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.405 1.739 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.35 -0.43 43.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.529 HG21 HG23 ' A' ' 43' ' ' VAL . 44.3 t -124.5 -38.82 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.765 ' O ' HG22 ' A' ' 15' ' ' VAL . 18.6 m-85 -130.19 121.62 26.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 111.071 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 24' ' ' MET . 4.7 tt0 -126.44 143.47 51.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.497 ' CG ' ' OE2' ' A' ' 12' ' ' GLU . 1.4 mtp -40.43 163.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.663 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 28.9 t30 -84.69 -149.18 0.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.663 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 3.9 tt0 -66.7 -22.44 66.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.417 ' CG ' ' C ' ' A' ' 26' ' ' GLU . 3.0 mt-10 -152.17 19.14 0.66 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.403 ' HA2' ' HB3' ' A' ' 24' ' ' MET . . . 77.51 12.86 84.13 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.488 1.118 . . . . 0.0 111.018 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -62.82 -14.95 51.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.763 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -167.83 161.0 12.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.06 104.83 17.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.498 ' CG2' ' OD1' ' A' ' 25' ' ' ASN . 78.2 t -77.86 154.34 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.627 HG21 ' HA ' ' A' ' 3' ' ' GLU . 68.8 t -102.84 132.51 48.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.122 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.93 -35.06 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.509 ' C ' ' H ' ' A' ' 37' ' ' ASP . 5.5 t-20 -114.71 91.18 24.55 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 26.25 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.801 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.791 ' HA ' HD13 ' A' ' 2' ' ' ILE . 16.5 t0 178.41 39.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.615 ' HB3' HG21 ' A' ' 43' ' ' VAL . 8.5 t -36.49 -72.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.047 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER 79.72 1.94 2.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 109.371 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.532 HD12 ' OG ' ' A' ' 38' ' ' SER . 14.2 mt -66.87 -141.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -134.28 10.48 3.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.9 p -102.16 -22.66 14.16 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.528 1.143 . . . . 0.0 108.313 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.615 HG21 ' HB3' ' A' ' 38' ' ' SER . 2.7 t -59.81 -42.3 88.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -66.27 -16.73 64.26 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.561 1.163 . . . . 0.0 110.306 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 49' ' ' SER . 3.6 mm-40 -86.82 -33.96 19.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.285 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.627 ' HB1' ' HB2' ' A' ' 14' ' ' CYS . . . -65.81 -25.15 67.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.3 mt -88.37 -54.63 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.02 -20.18 56.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.47 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 67.8 m -94.79 -23.83 17.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.031 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.5 t -88.59 113.45 55.62 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.094 . . . . 0.0 108.223 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -23.42 13.86 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.529 1.805 . . . . 0.0 110.971 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.37 -11.12 57.97 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 38.43 37.02 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.35 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.475 ' O ' ' HA ' ' A' ' 4' ' ' VAL . . . -77.27 -10.93 59.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.488 HG12 ' CG1' ' A' ' 4' ' ' VAL . 3.7 mt -83.74 119.77 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.9 m -123.01 151.99 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' SER . 13.4 ptt-85 -100.82 40.48 1.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.17 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . 1.113 ' OXT' ' HA ' ' A' ' 1' ' ' PRO . 41.5 t . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 1.0 109.957 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' F3S . . . . . 0.711 ' S3 ' HG11 ' A' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.446 ' HG3' ' O ' ' A' ' 36' ' ' PRO . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.924 0 N-CA-C 111.033 -0.41 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.882 HD11 HG11 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -78.85 134.62 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.699 ' O ' HD12 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -129.42 152.93 48.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.728 HG11 ' O ' ' A' ' 31' ' ' ALA . 13.9 p -108.88 -2.41 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.1 m120 62.12 -169.71 0.17 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -119.01 -42.89 2.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.83 -28.7 2.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.411 1.07 . . . . 0.0 109.256 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.457 ' SG ' ' N ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -53.26 161.0 0.99 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.492 1.12 . . . . 0.0 108.232 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.691 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 18.5 ttm -100.45 -85.05 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 111.065 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.691 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 163.06 51.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.28 -29.85 64.28 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.571 1.169 . . . . 0.0 108.276 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 70.31 24.86 4.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.477 ' HB3' ' S4 ' ' A' ' 59' ' ' F3S . . . -69.65 -50.78 40.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.48 ' O ' HG22 ' A' ' 17' ' ' ILE . 25.3 p -63.28 -30.39 71.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 108.366 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 22' ' ' PHE . 90.8 t -74.6 -30.05 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -78.58 -17.81 55.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.619 HD12 ' HG3' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -95.44 -43.05 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.309 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.4 ' SG ' HG23 ' A' ' 21' ' ' VAL . 1.8 t -139.4 77.69 28.83 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 108.25 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 3.54 5.49 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.588 1.836 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.63 -13.29 19.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.42 ' C ' HG13 ' A' ' 34' ' ' ILE . 94.4 t -112.92 -27.39 2.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.605 ' O ' HG13 ' A' ' 15' ' ' VAL . 29.9 m-85 -136.48 117.74 14.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.471 ' CG ' ' N ' ' A' ' 24' ' ' MET . 3.9 tt0 -124.13 157.85 33.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 110.227 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.494 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -58.51 145.87 37.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.673 ' HB3' HG23 ' A' ' 32' ' ' VAL . 9.5 p-10 -79.03 -150.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.36 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.43 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 3.0 tt0 -55.35 -48.73 73.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -121.04 20.99 11.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.565 ' N ' ' OD1' ' A' ' 25' ' ' ASN . . . 55.19 20.19 20.13 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.628 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 1.5 t70 -76.43 -7.63 55.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 0.801 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -159.43 120.56 3.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.728 ' O ' HG11 ' A' ' 4' ' ' VAL . . . -57.41 109.27 0.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.673 HG23 ' HB3' ' A' ' 25' ' ' ASN . 3.1 t -86.24 155.63 3.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 109.342 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.882 HG11 HD11 ' A' ' 2' ' ' ILE . 46.3 t -93.24 137.79 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.42 HG13 ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -113.01 -30.69 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.413 1.07 . . . . 0.0 109.334 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.484 ' C ' ' H ' ' A' ' 37' ' ' ASP . 5.9 t-20 -115.94 81.76 10.2 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.57 ' HA ' ' CD1' ' A' ' 2' ' ' ILE . 18.2 Cg_endo -75.05 37.36 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.479 1.778 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.484 ' H ' ' C ' ' A' ' 35' ' ' ASN . 36.1 t70 174.06 44.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.43 -163.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 109.946 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -171.47 32.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 109.255 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.547 ' CD1' HG23 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -115.61 -171.01 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.901 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 44' ' ' GLU . 13.3 t70 -104.51 -11.2 17.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.229 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -51.8 -29.01 17.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 108.298 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.547 HG23 ' CD1' ' A' ' 40' ' ' LEU . 80.4 t -67.35 -27.73 39.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.7 tt0 -77.16 -42.96 35.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.33 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.619 ' HG3' HD12 ' A' ' 17' ' ' ILE . 3.5 pt-20 -82.24 -16.04 50.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 42' ' ' CYS . . . -86.62 -14.35 42.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.789 HG13 HG23 ' A' ' 55' ' ' ILE . 0.5 OUTLIER -102.48 -46.04 10.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.243 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.61 -29.47 70.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.37 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.0 m -81.82 -9.24 59.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.024 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.512 ' SG ' HG22 ' A' ' 55' ' ' ILE . 29.0 t -88.36 113.08 53.73 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.431 1.082 . . . . 0.0 108.254 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -31.93 5.73 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.48 1.779 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.39 -6.49 58.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.452 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 2.6 tp10 38.9 34.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.33 -18.59 57.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.393 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.789 HG23 HG13 ' A' ' 47' ' ' ILE . 1.0 OUTLIER -88.68 120.27 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.379 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -125.13 -178.96 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.914 ' O ' ' OXT' ' A' ' 58' ' ' SER . 9.4 mtt180 -121.83 43.22 2.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.414 1.071 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.914 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 18.9 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 1.0 109.968 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' F3S . . . . . 0.477 ' S4 ' ' HB3' ' A' ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.493 ' HB3' ' CB ' ' A' ' 36' ' ' PRO . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.918 0 N-CA-C 111.012 -0.418 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.614 HD13 ' H ' ' A' ' 2' ' ' ILE . 0.0 OUTLIER -55.68 -172.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.619 ' HB3' HG23 ' A' ' 56' ' ' VAL . 4.9 tt0 -134.43 148.06 50.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.617 HG22 ' O ' ' A' ' 4' ' ' VAL . 2.7 p -134.31 9.96 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.564 ' HB2' ' HB1' ' A' ' 54' ' ' ALA . 24.9 m-20 46.02 -170.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -119.85 -30.42 4.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.416 1.073 . . . . 0.0 109.349 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.02 -19.12 40.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.429 ' SG ' ' N ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -55.68 159.69 2.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 108.315 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.533 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 1.3 mtp -108.11 -92.68 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.533 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 173.59 41.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.7 t -61.75 -29.84 70.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 108.319 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 71.71 26.29 3.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.86 ' HB3' ' S4 ' ' A' ' 59' ' ' F3S . . . -70.15 -48.92 55.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.53 ' O ' HG22 ' A' ' 17' ' ' ILE . 10.6 p -62.28 -34.49 76.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 108.298 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.469 HG13 ' HA ' ' A' ' 23' ' ' GLU . 25.3 t -74.64 -29.29 23.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -86.3 27.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 110.345 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.81 ' O ' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -148.41 -46.55 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.241 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.56 ' SG ' HG23 ' A' ' 21' ' ' VAL . 3.9 t -135.51 83.5 36.82 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 108.237 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.513 ' O ' ' CD1' ' A' ' 34' ' ' ILE . 18.6 Cg_endo -74.98 7.9 2.65 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.538 1.809 . . . . 0.0 111.023 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -108.75 -7.62 15.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.711 HG12 ' CZ ' ' A' ' 22' ' ' PHE . 71.9 t -116.43 -34.72 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.711 ' CZ ' HG12 ' A' ' 21' ' ' VAL . 17.9 m-85 -141.35 125.51 17.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 111.054 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 1.007 ' O ' HG12 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -147.4 141.73 26.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.077 . . . . 0.0 110.328 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.449 ' C ' ' O ' ' A' ' 23' ' ' GLU . 2.0 mtm -33.94 142.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 30' ' ' LYS . 11.8 p-10 -70.64 -156.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.259 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -52.1 53.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.266 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.442 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 2.3 mm-40 -80.34 -3.4 49.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.473 ' N ' ' OD1' ' A' ' 25' ' ' ASN . . . 60.46 32.15 76.71 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.524 1.14 . . . . 0.0 111.059 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 1.1 t0 -112.37 -10.65 13.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.761 . . . . 0.0 109.387 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 25' ' ' ASN . 10.2 mtmm -137.4 128.46 27.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.61 95.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.007 HG12 ' O ' ' A' ' 23' ' ' GLU . 3.5 p -76.1 160.7 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.609 ' CG1' HD11 ' A' ' 2' ' ' ILE . 79.8 t -96.21 137.09 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.513 ' CD1' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -111.46 -26.79 3.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.431 1.082 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.589 ' O ' HD11 ' A' ' 2' ' ' ILE . 16.8 t-20 -113.14 89.35 13.97 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.493 ' CB ' ' HB3' ' A' ' 1' ' ' PRO . 18.3 Cg_endo -74.99 28.56 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.435 1.755 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.508 ' H ' ' C ' ' A' ' 35' ' ' ASN . 33.1 t70 -172.73 34.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.1 t -50.75 -95.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.991 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 57.52 22.24 7.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.559 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 2.7 pp -94.85 22.24 6.66 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 40' ' ' LEU . 4.8 t70 87.11 -37.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.507 ' HA ' ' CG ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -41.66 -35.9 0.85 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.09 . . . . 0.0 108.282 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.993 HG12 ' CD1' ' A' ' 47' ' ' ILE . 2.2 t -68.96 -48.34 70.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.357 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -57.71 -28.18 63.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.69 ' OE1' HD11 ' A' ' 17' ' ' ILE . 12.1 pt-20 -98.04 -14.7 20.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.348 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 42' ' ' CYS . . . -93.06 -22.33 19.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.993 ' CD1' HG12 ' A' ' 43' ' ' VAL . 20.2 mt -87.88 -40.82 13.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.09 -26.4 68.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.401 ' O ' ' HD3' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -86.98 -15.32 39.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.079 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 34.9 t -84.92 113.31 49.06 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 108.323 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 49' ' ' SER . 18.3 Cg_endo -74.97 -32.54 5.34 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.528 1.804 . . . . 0.0 111.061 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -81.4 -6.78 59.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 52' ' ' ALA . 3.2 pt-20 34.17 45.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.327 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.564 ' HB1' ' HB2' ' A' ' 5' ' ' ASN . . . -84.65 -20.52 31.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.228 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.703 HG23 ' S3 ' ' A' ' 59' ' ' F3S . 3.0 pt -91.82 129.98 41.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.619 HG23 ' HB3' ' A' ' 3' ' ' GLU . 3.2 m -143.2 -175.28 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 58' ' ' SER . 7.0 ptm180 -125.19 43.96 2.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.33 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 57' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 1.0 110.035 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' F3S . . . . . 0.86 ' S4 ' ' HB3' ' A' ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.522 ' CG ' ' O ' ' A' ' 36' ' ' PRO . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.951 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.792 HD11 ' CG1' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -117.07 121.48 67.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.469 ' CG ' ' C ' ' A' ' 2' ' ' ILE . 0.2 OUTLIER -159.96 -179.45 7.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.879 HG12 ' HA ' ' A' ' 55' ' ' ILE . 33.7 m -130.86 -162.59 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.94 -159.19 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -100.66 11.54 39.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.04 -34.44 12.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -51.33 157.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 108.32 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.58 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 7.9 mtt -102.88 -93.52 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 170.98 41.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.082 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.87 -28.97 67.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 108.293 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 69.91 30.91 3.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 0.0 110.259 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.69 ' HB3' ' S4 ' ' A' ' 59' ' ' F3S . . . -69.33 -48.29 61.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.515 ' O ' HG22 ' A' ' 17' ' ' ILE . 10.2 p -62.16 -33.94 75.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 108.354 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.565 HG22 ' C ' ' A' ' 22' ' ' PHE . 75.9 t -74.12 -29.6 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -83.93 38.39 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.786 ' O ' HD13 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -165.88 -42.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.1 t -135.18 71.85 67.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.616 1.197 . . . . 0.0 108.214 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.449 ' HA ' ' O ' ' A' ' 22' ' ' PHE . 18.4 Cg_endo -74.96 2.66 6.36 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.526 1.803 . . . . 0.0 111.019 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.52 -9.67 29.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.96 HG21 HD11 ' A' ' 40' ' ' LEU . 85.6 t -119.79 -34.3 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 1.0 ' CE1' HD11 ' A' ' 55' ' ' ILE . 24.5 m-85 -132.55 125.3 30.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.806 ' O ' HG12 ' A' ' 32' ' ' VAL . 9.4 tp10 -137.62 150.56 47.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.426 ' O ' ' O ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -51.43 150.54 3.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.969 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.56 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 28.4 t30 -60.83 -143.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.56 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -85.82 -22.0 27.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.233 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -140.35 11.7 2.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 1.081 . . . . 0.0 110.291 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.93 13.65 83.43 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.485 1.116 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.28 -15.31 15.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 0.75 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -179.28 159.36 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.59 114.33 17.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.377 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.806 HG12 ' O ' ' A' ' 23' ' ' GLU . 7.2 p -97.86 162.98 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.792 ' CG1' HD11 ' A' ' 2' ' ' ILE . 52.5 t -94.51 146.4 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.245 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.513 ' CD1' ' CB ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -119.65 -35.35 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.475 ' C ' ' H ' ' A' ' 37' ' ' ASP . 3.3 t-20 -117.41 79.72 12.11 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.409 1.068 . . . . 0.0 109.389 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.562 ' HA ' ' CD1' ' A' ' 2' ' ' ILE . 18.1 Cg_endo -75.04 39.09 0.57 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.485 1.781 . . . . 0.0 110.955 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.475 ' H ' ' C ' ' A' ' 35' ' ' ASN . 52.2 t0 170.79 42.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.77 -165.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -171.79 33.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.96 HD11 HG21 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -94.19 -168.61 1.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.589 1.181 . . . . 0.0 109.262 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -115.11 1.7 13.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.253 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.932 ' SG ' HD22 ' A' ' 40' ' ' LEU . 5.5 p -88.93 12.29 15.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 108.355 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.86 HG23 ' CD1' ' A' ' 40' ' ' LEU . 3.9 t -90.6 -34.42 6.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.4 -38.07 63.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 0.0 110.337 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -81.91 -13.2 57.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.572 ' HB2' ' O ' ' A' ' 42' ' ' CYS . . . -89.19 -20.27 24.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.701 HG13 HG23 ' A' ' 55' ' ' ILE . 1.2 mp -96.56 -41.37 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.35 -31.71 72.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.3 m -74.9 -9.42 58.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.962 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.459 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 40.7 t -86.65 113.2 51.72 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 108.377 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -32.21 5.49 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.791 . . . . 0.0 110.938 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -84.79 -6.34 59.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.459 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 5.2 pt-20 37.73 35.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' A' ' 4' ' ' VAL . . . -77.69 -17.83 57.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 1.0 HD11 ' CE1' ' A' ' 22' ' ' PHE . 5.7 tt -87.9 104.62 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.6 m -104.99 154.89 6.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.953 ' O ' ' OXT' ' A' ' 58' ' ' SER . 83.8 mtm180 -104.99 48.13 0.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.953 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 1.0 110.033 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' F3S . . . . . 0.69 ' S4 ' ' HB3' ' A' ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.479 ' HB3' ' CB ' ' A' ' 36' ' ' PRO . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.929 0 N-CA-C 110.997 -0.424 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.663 HD11 ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -55.46 -176.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.741 ' HB3' HG23 ' A' ' 56' ' ' VAL . 22.9 tp10 -135.64 149.91 49.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.595 1.184 . . . . 0.0 110.352 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.6 p -158.77 97.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.9 ' OD1' ' HB1' ' A' ' 54' ' ' ALA . 0.9 OUTLIER -53.83 -172.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.434 ' C ' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -102.66 -32.99 9.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 6' ' ' ASP . 48.5 m-20 -39.07 -31.63 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.472 ' HB2' ' CB ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -52.45 156.58 1.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 108.269 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.653 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -104.81 -82.94 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 111.04 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.653 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 166.83 62.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.414 1.072 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.6 t -70.2 -40.24 74.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 108.343 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 78.49 6.94 2.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.175 . . . . 0.0 110.265 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.17 -48.93 60.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.481 ' O ' HG22 ' A' ' 17' ' ' ILE . 31.5 p -61.64 -31.83 71.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 108.263 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.528 HG13 ' O ' ' A' ' 22' ' ' PHE . 82.2 t -75.83 -30.96 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.69 -7.64 59.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 110.268 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.614 ' O ' HD13 ' A' ' 17' ' ' ILE . 0.3 OUTLIER -110.34 -28.66 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.503 ' SG ' HG23 ' A' ' 21' ' ' VAL . 2.0 t -151.1 75.26 8.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 108.282 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.484 ' O ' ' CD1' ' A' ' 34' ' ' ILE . 18.5 Cg_endo -75.01 5.79 3.78 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 0.7 OUTLIER -104.13 -13.79 16.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.592 1.182 . . . . 0.0 109.26 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.794 HG21 HD11 ' A' ' 40' ' ' LEU . 93.3 t -112.95 -24.72 3.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.763 ' CE1' HG12 ' A' ' 21' ' ' VAL . 9.6 m-85 -145.69 122.8 11.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 24' ' ' MET . 9.1 tt0 -134.0 134.04 42.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.415 1.072 . . . . 0.0 110.326 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -35.32 151.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 111.043 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.576 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 29.7 t30 -63.64 -143.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.576 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -83.59 -21.63 32.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 110.291 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -144.62 15.38 1.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.243 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.35 13.46 76.44 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.0 -20.63 54.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 0.778 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -178.1 162.45 1.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.251 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.55 106.06 17.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 109.38 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.491 ' CG2' ' OD1' ' A' ' 25' ' ' ASN . 87.0 t -81.28 152.8 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.663 ' CG1' HD11 ' A' ' 2' ' ' ILE . 86.4 t -88.39 135.95 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -113.03 -28.96 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.56 ' O ' ' CD1' ' A' ' 2' ' ' ILE . 13.4 t-20 -112.84 90.26 15.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 0.0 109.366 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.479 ' CB ' ' HB3' ' A' ' 1' ' ' PRO . 18.5 Cg_endo -74.91 25.92 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.781 . . . . 0.0 111.076 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.508 ' O ' ' C ' ' A' ' 38' ' ' SER . 28.8 t70 -174.11 38.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.534 ' OG ' ' N ' ' A' ' 39' ' ' ASP . 0.2 OUTLIER -31.03 -87.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.596 1.185 . . . . 0.0 110.031 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.534 ' N ' ' OG ' ' A' ' 38' ' ' SER . 2.2 t0 81.61 24.87 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.852 HD13 ' HB3' ' A' ' 42' ' ' CYS . 0.4 OUTLIER -119.08 177.7 4.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -94.58 49.14 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.852 ' HB3' HD13 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -115.59 -25.73 7.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 108.279 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.474 HG12 ' CD1' ' A' ' 47' ' ' ILE . 1.9 t -73.52 -33.47 39.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.29 -33.17 69.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.251 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.599 ' HG3' HD12 ' A' ' 17' ' ' ILE . 14.5 pt-20 -91.33 -21.23 21.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.514 ' HA ' HG21 ' A' ' 17' ' ' ILE . . . -82.52 -27.73 31.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 109.359 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.474 ' CD1' HG12 ' A' ' 43' ' ' VAL . 28.6 mt -82.75 -48.63 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.23 -38.1 76.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.227 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.5 m -75.01 -21.96 58.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.97 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 19.0 t -88.03 113.73 56.16 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 108.29 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -30.42 7.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.773 . . . . 0.0 111.037 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.485 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -81.39 -6.78 59.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 52' ' ' ALA . 3.9 pm0 31.84 48.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.266 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.9 ' HB1' ' OD1' ' A' ' 5' ' ' ASN . . . -78.1 -23.09 48.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.42 HD12 HG13 ' A' ' 47' ' ' ILE . 6.2 pt -92.02 129.29 42.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.741 HG23 ' HB3' ' A' ' 3' ' ' GLU . 6.3 m -138.74 162.04 29.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 58' ' ' SER . 0.5 OUTLIER -119.35 45.15 2.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.326 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 57' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.365 1.041 . . . . 1.0 109.989 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' F3S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.561 ' CG ' ' O ' ' A' ' 36' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.933 0 N-CA-C 111.047 -0.405 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.836 HD12 ' HA ' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -44.17 165.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.472 ' HB3' HG23 ' A' ' 56' ' ' VAL . 2.2 tp10 -164.43 143.59 7.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -114.94 155.12 16.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.614 ' HB2' ' HB1' ' A' ' 54' ' ' ALA . 1.5 t-20 -91.95 -148.16 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -125.13 -42.16 2.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -63.72 -32.86 74.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.466 ' HB2' ' CB ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -45.42 141.34 2.67 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 108.278 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.682 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 35.0 mtt -107.25 -70.62 0.79 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.682 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 164.57 67.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.98 -33.78 68.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 108.262 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.733 ' O ' HG22 ' A' ' 15' ' ' VAL . 2.2 mt-10 68.25 9.01 6.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.7 -38.73 73.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.641 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 18.3 p -62.54 -42.19 99.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 108.283 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.927 HG12 ' CB ' ' A' ' 22' ' ' PHE . 4.9 m -72.77 -31.36 36.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.561 1.163 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.15 -33.36 75.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.435 HG21 ' N ' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -88.14 -42.99 15.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.501 ' SG ' ' CG2' ' A' ' 21' ' ' VAL . 2.7 t -126.08 74.27 71.91 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 108.276 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 1.99 7.13 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.441 1.758 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.3 -11.86 18.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.407 1.067 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.501 ' CG2' ' SG ' ' A' ' 18' ' ' CYS . 55.5 t -113.22 -23.36 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.927 ' CB ' HG12 ' A' ' 15' ' ' VAL . 39.7 m-85 -142.43 141.37 32.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -146.58 130.33 17.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.18 . . . . 0.0 110.282 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -39.23 151.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 111.038 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.572 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 21.3 t30 -66.64 -147.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.351 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.572 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 2.2 tt0 -74.67 -24.9 58.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.165 . . . . 0.0 110.284 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -142.06 11.32 1.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.42 ' O ' ' HB1' ' A' ' 10' ' ' ALA . . . 74.79 25.81 68.67 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.449 1.093 . . . . 0.0 111.009 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.29 -12.72 59.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 0.718 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.49 104.81 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.85 117.77 1.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.562 HG12 ' N ' ' A' ' 33' ' ' VAL . 60.1 t -91.58 170.31 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.816 HG21 HG13 ' A' ' 2' ' ' ILE . 85.9 t -112.37 131.9 62.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.406 HG13 ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -99.08 -33.03 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.488 ' C ' ' H ' ' A' ' 37' ' ' ASP . 4.4 t-20 -116.59 82.15 12.18 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.571 1.17 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.836 ' HA ' HD12 ' A' ' 2' ' ' ILE . 18.5 Cg_endo -74.95 36.87 0.45 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.546 1.814 . . . . 0.0 110.961 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.488 ' H ' ' C ' ' A' ' 35' ' ' ASN . 24.0 t70 170.97 41.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 109.348 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.03 -167.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 109.96 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -171.22 32.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.503 HD12 ' SG ' ' A' ' 42' ' ' CYS . 0.6 OUTLIER -97.28 -148.47 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.248 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -137.48 12.15 2.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.394 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.503 ' SG ' HD12 ' A' ' 40' ' ' LEU . 2.3 p -87.41 -16.11 35.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 108.28 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.475 ' O ' HD12 ' A' ' 47' ' ' ILE . 2.1 t -77.47 -28.14 15.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -68.57 -27.29 65.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 110.276 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 49' ' ' SER . 0.4 OUTLIER -84.88 -32.53 23.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.641 ' HB1' ' HB2' ' A' ' 14' ' ' CYS . . . -65.38 -24.93 67.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.475 HD12 ' O ' ' A' ' 43' ' ' VAL . 0.8 OUTLIER -88.22 -53.65 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.1 -18.12 59.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 61.6 m -97.24 -19.99 18.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.03 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.469 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 15.9 t -83.59 113.12 44.85 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 108.281 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 49' ' ' SER . 18.2 Cg_endo -74.97 -32.08 5.73 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.483 1.78 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -80.76 -5.9 57.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.287 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.469 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 0.1 OUTLIER 36.65 34.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.614 ' HB1' ' HB2' ' A' ' 5' ' ' ASN . . . -77.45 -23.33 50.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.507 ' CG1' ' S3 ' ' A' ' 59' ' ' F3S . 0.3 OUTLIER -93.22 110.48 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.472 HG23 ' HB3' ' A' ' 3' ' ' GLU . 17.4 m -124.0 173.38 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.332 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 58' ' ' SER . 14.1 ptm180 -122.35 42.17 3.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.137 . . . . 0.0 110.233 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 57' ' ' ARG . 31.4 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 1.0 109.979 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' F3S . . . . . 0.507 ' S3 ' ' CG1' ' A' ' 55' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.942 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.849 HD11 ' O ' ' A' ' 35' ' ' ASN . 0.1 OUTLIER -132.96 103.28 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.24 -165.47 1.97 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.105 . . . . 0.0 110.333 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.764 HG11 ' S3 ' ' A' ' 59' ' ' F3S . 2.7 m -130.62 -110.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.564 ' OD1' ' HB1' ' A' ' 54' ' ' ALA . 0.2 OUTLIER 175.82 -171.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.58 -37.75 49.84 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -44.22 -51.07 8.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 9' ' ' MET . 0.1 OUTLIER -50.12 160.39 0.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 108.302 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.514 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 12.3 ttm -100.54 -88.31 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 110.985 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.546 ' HB1' ' O ' ' A' ' 28' ' ' GLY . . . 174.14 41.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.67 -26.93 67.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 108.283 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.812 ' O ' HG22 ' A' ' 15' ' ' VAL . 82.3 mt-10 59.36 17.97 6.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.62 -49.58 52.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.448 ' O ' HG22 ' A' ' 17' ' ' ILE . 1.2 p -52.75 -42.32 64.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 108.3 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.918 HG12 ' HB2' ' A' ' 22' ' ' PHE . 3.6 m -73.29 -29.23 27.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 109.33 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -14.86 63.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.782 HD12 ' OE2' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -108.48 -37.7 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.48 71.79 71.01 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.578 1.174 . . . . 0.0 108.254 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.473 ' HA ' ' O ' ' A' ' 22' ' ' PHE . 18.3 Cg_endo -74.95 3.95 5.14 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.499 1.789 . . . . 0.0 110.988 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -97.94 -13.02 21.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.828 HG21 HD11 ' A' ' 40' ' ' LEU . 61.0 t -114.09 -28.52 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.393 1.058 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.918 ' HB2' HG12 ' A' ' 15' ' ' VAL . 12.9 m-85 -135.36 137.73 42.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.082 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.438 ' O ' HG12 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -146.28 139.91 26.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 110.302 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.418 ' N ' ' HG2' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -41.74 142.06 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.549 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 21.3 t30 -61.94 -147.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.549 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 2.8 tt0 -74.19 -25.63 59.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.606 1.191 . . . . 0.0 110.249 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -135.44 6.19 3.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.546 ' O ' ' HB1' ' A' ' 10' ' ' ALA . . . 73.19 23.25 77.94 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.16 -7.52 54.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 0.741 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -171.62 133.01 0.76 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.232 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.83 112.43 1.64 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.466 HG23 ' OD1' ' A' ' 25' ' ' ASN . 0.5 OUTLIER -82.48 160.17 3.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.42 ' CG2' ' O ' ' A' ' 2' ' ' ILE . 87.5 t -110.6 129.39 65.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.434 HG13 ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -104.72 -39.81 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.849 ' O ' HD11 ' A' ' 2' ' ' ILE . 6.9 t-20 -116.26 86.38 17.41 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 29.76 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.479 1.778 . . . . 0.0 111.017 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.512 ' H ' ' C ' ' A' ' 35' ' ' ASN . 31.8 t70 -177.87 48.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.515 ' OG ' HG22 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -59.12 -161.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.012 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -171.38 32.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.886 HD22 ' SG ' ' A' ' 42' ' ' CYS . 0.3 OUTLIER -107.38 -169.07 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -115.24 15.87 16.92 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.886 ' SG ' HD22 ' A' ' 40' ' ' LEU . 4.6 p -102.05 17.84 22.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.272 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.667 HG23 ' CD1' ' A' ' 40' ' ' LEU . 7.0 t -103.09 -26.92 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -85.72 -23.44 27.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.782 ' OE2' HD12 ' A' ' 17' ' ' ILE . 22.2 pt-20 -85.08 -16.45 40.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 110.276 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.12 -19.03 30.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.75 HG12 HG23 ' A' ' 55' ' ' ILE . 50.2 mt -97.09 -45.06 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -59.37 -42.8 92.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.1 m -75.32 -9.15 58.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 39.7 t -88.01 112.97 52.67 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 108.26 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -32.79 5.19 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.458 1.767 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -82.14 -7.08 59.61 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.44 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 3.1 mt-10 35.93 36.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 0.0 110.315 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.564 ' HB1' ' OD1' ' A' ' 5' ' ' ASN . . . -78.03 -14.04 59.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.75 HG23 HG12 ' A' ' 47' ' ' ILE . 1.3 tt -86.57 112.12 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 m -111.17 158.04 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.579 1.174 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.503 ' O ' ' OXT' ' A' ' 58' ' ' SER . 4.1 ptt85 -121.0 48.28 1.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.503 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 19.1 t . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 1.0 109.977 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' F3S . . . . . 0.764 ' S3 ' HG11 ' A' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.893 ' HB2' HD13 ' A' ' 2' ' ' ILE . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 111.007 -0.421 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.893 HD13 ' HB2' ' A' ' 1' ' ' PRO . 0.1 OUTLIER -116.4 103.66 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.57 1.168 . . . . 0.0 109.254 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.466 ' CG ' HG23 ' A' ' 56' ' ' VAL . 5.3 pt-20 -117.85 167.78 11.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.398 1.061 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.418 HG22 ' N ' ' A' ' 5' ' ' ASN . 11.5 p -122.5 161.78 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.243 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.641 ' HB2' ' HB1' ' A' ' 54' ' ' ALA . 5.6 m-20 -91.13 -171.75 3.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.555 1.159 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -103.97 -27.26 12.26 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -62.45 -20.2 64.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.33 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.29 136.9 48.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 108.329 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.719 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -97.84 -16.1 19.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.18 . . . . 0.0 111.011 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 9' ' ' MET . . . 87.74 70.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.395 1.06 . . . . 0.0 109.335 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.57 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 0.6 OUTLIER -72.64 -40.92 66.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 108.318 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.57 ' CG ' ' O ' ' A' ' 11' ' ' CYS . 0.2 OUTLIER 90.05 7.87 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.42 -49.96 56.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.509 ' O ' HG22 ' A' ' 17' ' ' ILE . 21.7 p -62.44 -31.41 72.11 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.516 1.135 . . . . 0.0 108.333 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 22' ' ' PHE . 95.0 t -73.67 -31.4 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -83.71 -11.99 56.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.707 HD12 ' HG3' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -98.68 -33.05 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.458 ' SG ' HG23 ' A' ' 21' ' ' VAL . 0.7 OUTLIER -160.54 83.77 2.03 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.453 1.096 . . . . 0.0 108.318 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.511 ' O ' ' CD1' ' A' ' 34' ' ' ILE . 18.1 Cg_endo -75.01 5.4 4.01 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.467 1.772 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -100.03 -12.57 19.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.508 HG13 ' HB2' ' A' ' 38' ' ' SER . 25.1 t -112.16 -31.06 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.926 ' CE1' HD11 ' A' ' 55' ' ' ILE . 14.9 m-85 -140.82 127.44 20.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.484 ' CG ' ' N ' ' A' ' 24' ' ' MET . 9.0 tt0 -141.41 158.44 43.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.484 ' N ' ' CG ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -63.67 143.57 57.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 30' ' ' LYS . 13.1 p-10 -59.75 -154.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.98 -53.99 11.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -73.05 -4.8 34.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.474 ' N ' ' OD1' ' A' ' 25' ' ' ASN . . . 61.47 34.62 89.0 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.98 -1.5 8.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 109.363 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 25' ' ' ASN . 2.0 tptt -135.04 115.27 13.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.404 ' CB ' ' S2 ' ' A' ' 59' ' ' F3S . . . -72.35 100.07 2.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.547 HG12 ' N ' ' A' ' 33' ' ' VAL . 83.9 t -96.95 168.27 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.792 HG21 ' O ' ' A' ' 2' ' ' ILE . 24.5 t -92.79 144.1 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.088 . . . . 0.0 109.363 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.511 ' CD1' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -114.6 -32.67 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.598 ' O ' HD11 ' A' ' 2' ' ' ILE . 9.5 t-20 -111.18 96.66 31.61 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.538 ' C ' HD11 ' A' ' 2' ' ' ILE . 18.4 Cg_endo -74.99 24.63 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.461 1.769 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.589 ' O ' ' C ' ' A' ' 38' ' ' SER . 16.0 t0 -175.72 36.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.448 1.092 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.589 ' C ' ' O ' ' A' ' 37' ' ' ASP . 1.6 t -22.75 -77.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.048 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.558 ' CB ' ' O ' ' A' ' 38' ' ' SER . 4.8 t0 86.11 15.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.43 HD12 ' HB2' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -124.05 152.98 42.02 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.434 1.084 . . . . 0.0 109.253 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 44' ' ' GLU . 18.9 t70 -58.24 -16.38 13.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 46' ' ' ALA . 0.9 OUTLIER -41.92 -39.04 1.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 108.374 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.439 HG12 HD12 ' A' ' 47' ' ' ILE . 25.5 t -62.13 -49.0 85.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.353 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' ASP . 0.2 OUTLIER -57.63 -46.51 84.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.595 1.184 . . . . 0.0 110.348 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.707 ' HG3' HD12 ' A' ' 17' ' ' ILE . 16.0 pt-20 -78.11 -15.09 59.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.242 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 42' ' ' CYS . . . -88.53 -15.38 35.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.502 ' CG1' ' CG2' ' A' ' 55' ' ' ILE . 6.2 mt -98.93 -44.34 11.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.04 -15.83 60.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.428 ' O ' ' HD3' ' A' ' 51' ' ' PRO . 1.2 m -99.62 -16.1 18.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.954 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 44.6 t -88.52 112.13 48.17 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 108.337 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 49' ' ' SER . 18.1 Cg_endo -75.02 -33.6 4.43 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.789 . . . . 0.0 110.959 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -82.15 -7.0 59.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.095 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 52' ' ' ALA . 13.2 mt-10 34.12 45.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.373 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.641 ' HB1' ' HB2' ' A' ' 5' ' ' ASN . . . -78.29 -13.44 59.85 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.926 HD11 ' CE1' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -88.55 108.7 19.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.466 HG23 ' CG ' ' A' ' 3' ' ' GLU . 3.1 m -108.5 154.17 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.357 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.731 ' O ' ' OXT' ' A' ' 58' ' ' SER . 7.9 mtt180 -104.12 51.98 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.731 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 31.6 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 1.0 110.0 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' F3S . . . . . 0.405 ' S2 ' ' HA ' ' A' ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.465 ' HB3' ' CB ' ' A' ' 36' ' ' PRO . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.905 0 N-CA-C 111.019 -0.416 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.682 HD13 ' H ' ' A' ' 2' ' ' ILE . 0.2 OUTLIER -108.23 135.3 47.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.598 1.186 . . . . 0.0 109.278 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -116.53 163.4 16.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.254 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.0 p -121.37 149.68 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.669 ' HB2' ' HB1' ' A' ' 54' ' ' ALA . 4.1 m-20 -84.0 -171.48 3.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -109.24 -27.73 9.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -21.68 65.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -55.09 150.44 10.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.405 1.066 . . . . 0.0 108.277 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.676 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 2.1 tpp -108.04 -70.94 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.676 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 162.96 58.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.416 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 4.1 m -70.09 -28.69 65.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 108.3 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.508 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 0.3 OUTLIER 59.54 14.16 3.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.43 -48.58 55.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.461 ' O ' HG22 ' A' ' 17' ' ' ILE . 30.7 p -61.67 -33.63 74.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 108.296 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.7 t -75.03 -30.87 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -81.84 -16.02 52.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.158 . . . . 0.0 110.332 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.704 HD12 ' HG3' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -94.9 -42.53 12.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.502 ' SG ' HG23 ' A' ' 21' ' ' VAL . 0.7 OUTLIER -147.93 84.42 6.93 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 108.309 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.424 ' O ' ' CD1' ' A' ' 34' ' ' ILE . 18.2 Cg_endo -75.05 3.16 5.89 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.521 1.801 . . . . 0.0 110.937 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 4.2 t70 -99.21 -13.4 19.74 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.671 HG13 ' HB2' ' A' ' 38' ' ' SER . 48.1 t -109.21 -31.59 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.549 ' CZ ' HG21 ' A' ' 55' ' ' ILE . 61.0 m-85 -135.12 124.94 25.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.512 ' CG ' ' N ' ' A' ' 24' ' ' MET . 1.3 tt0 -126.04 161.73 26.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 110.334 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.512 ' N ' ' CG ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -77.24 143.33 39.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.462 ' OD1' ' N ' ' A' ' 28' ' ' GLY . 12.0 p-10 -64.86 -157.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -67.0 -54.59 20.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.385 1.053 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -77.54 0.65 22.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.462 ' N ' ' OD1' ' A' ' 25' ' ' ASN . . . 57.17 29.95 60.38 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.458 1.099 . . . . 0.0 111.017 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.5 OUTLIER -117.35 -9.27 10.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 0.773 . . . . 0.0 109.26 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.431 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.3 ttpt -121.18 111.85 17.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.24 99.65 0.94 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.351 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.556 HG12 ' N ' ' A' ' 33' ' ' VAL . 58.3 t -90.36 168.77 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.668 HG21 ' O ' ' A' ' 2' ' ' ILE . 59.3 t -96.73 148.58 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.539 HG13 ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -126.8 -33.5 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.357 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.515 ' O ' ' CD1' ' A' ' 2' ' ' ILE . 32.5 t-20 -113.95 88.4 14.38 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.465 ' CB ' ' HB3' ' A' ' 1' ' ' PRO . 18.2 Cg_endo -75.05 40.1 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.489 1.784 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.457 ' H ' ' C ' ' A' ' 35' ' ' ASN . 36.0 t70 177.44 37.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.671 ' HB2' HG13 ' A' ' 21' ' ' VAL . 39.1 t -58.72 -83.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.476 1.11 . . . . 0.0 110.049 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 t0 47.18 40.95 10.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.565 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 1.8 pp -113.39 27.64 9.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.565 ' CB ' ' O ' ' A' ' 40' ' ' LEU . 10.7 t0 87.49 -36.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.165 . . . . 0.0 109.249 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.535 ' O ' ' CB ' ' A' ' 46' ' ' ALA . 1.2 m -49.58 -34.54 18.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 108.384 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.672 HG12 HD12 ' A' ' 47' ' ' ILE . 98.7 t -69.22 -34.21 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 41' ' ' ASP . 23.7 tt0 -70.55 -38.08 74.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.704 ' HG3' HD12 ' A' ' 17' ' ' ILE . 11.0 pt-20 -87.35 -23.83 24.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.251 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.535 ' CB ' ' O ' ' A' ' 42' ' ' CYS . . . -78.82 -22.12 46.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.672 HD12 HG12 ' A' ' 43' ' ' VAL . 5.8 mt -90.53 -48.43 14.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -58.93 -38.84 79.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 93.5 p -74.23 -19.67 60.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.98 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 42.5 t -87.2 113.32 53.23 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 108.283 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -31.53 6.11 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.546 1.813 . . . . 0.0 111.044 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.455 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -84.19 -6.8 59.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 52' ' ' ALA . 1.7 pt-20 34.81 46.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 110.268 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.669 ' HB1' ' HB2' ' A' ' 5' ' ' ASN . . . -79.97 -11.7 59.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.549 HG21 ' CZ ' ' A' ' 22' ' ' PHE . 5.9 mt -87.89 112.14 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.246 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.5 m -117.61 168.8 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -104.68 51.54 0.76 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.548 1.155 . . . . 1.0 109.984 -179.946 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 59' ' ' F3S . . . . . 0.472 ' S3 ' HD11 ' A' ' 55' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.491 ' HB3' ' CB ' ' A' ' 36' ' ' PRO . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.952 0 N-CA-C 111.079 -0.393 . . . . 0.0 111.079 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.791 HD13 ' H ' ' A' ' 2' ' ' ILE . 0.2 OUTLIER -123.76 128.3 74.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.605 ' HB3' HG23 ' A' ' 56' ' ' VAL . 2.2 tt0 -97.57 152.39 19.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.441 1.088 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.801 ' HA ' HD13 ' A' ' 55' ' ' ILE . 2.4 p -125.5 2.84 4.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.198 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 m120 56.29 -172.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -119.44 -32.61 4.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.261 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -58.75 -16.55 17.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -53.21 161.03 0.95 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.128 . . . . 0.0 108.257 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.702 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -102.83 -84.66 0.46 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.702 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 162.45 59.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -72.84 -29.26 63.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 108.26 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.413 ' HG2' ' CE ' ' A' ' 24' ' ' MET . 0.8 OUTLIER 68.22 8.43 6.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.251 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.61 -47.99 61.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.4 p -60.51 -34.78 74.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 108.356 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 22' ' ' PHE . 84.4 t -73.82 -31.29 30.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -75.89 -16.58 60.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.311 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.671 ' CG2' ' HB2' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -97.5 -46.24 12.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.337 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.555 ' SG ' HG23 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -137.65 78.05 38.06 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 108.304 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 2.26 6.86 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.524 1.802 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.09 -8.42 22.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.555 HG23 ' SG ' ' A' ' 18' ' ' CYS . 47.0 t -112.01 -31.67 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.613 ' CE1' HG13 ' A' ' 2' ' ' ILE . 29.0 m-85 -133.23 117.59 17.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.956 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.453 ' CA ' ' OE1' ' A' ' 23' ' ' GLU . 1.5 tp10 -120.65 122.99 41.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 110.315 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.444 ' N ' ' OE1' ' A' ' 23' ' ' GLU . 3.5 mtt -37.74 148.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.594 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 32.3 t30 -60.6 -143.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.594 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 5.3 tt0 -99.84 -14.5 18.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.307 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -114.05 -8.23 13.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.243 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.403 ' HA2' ' HB3' ' A' ' 24' ' ' MET . . . 70.88 38.85 65.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.63 1.77 8.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 0.759 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 25' ' ' ASN . 6.4 ttpt -157.53 124.68 5.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.653 ' O ' HG11 ' A' ' 4' ' ' VAL . . . -79.07 107.52 11.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.414 HG21 ' OD1' ' A' ' 25' ' ' ASN . 57.3 t -84.28 149.54 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.378 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.534 HG13 HD11 ' A' ' 2' ' ' ILE . 21.7 t -80.7 140.75 16.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.534 1.147 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.456 HG13 ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -119.76 -37.92 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.47 ' C ' ' H ' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -115.52 86.73 15.66 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.491 ' CB ' ' HB3' ' A' ' 1' ' ' PRO . 17.9 Cg_endo -75.07 38.75 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.494 1.786 . . . . 0.0 110.977 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.47 ' H ' ' C ' ' A' ' 35' ' ' ASN . 21.2 t0 174.21 41.37 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.528 ' OG ' HD11 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -82.31 -81.36 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.5 t70 54.86 50.93 14.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.071 . . . . 0.0 109.246 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.602 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -85.37 9.83 14.42 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.587 1.18 . . . . 0.0 109.352 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.602 ' CB ' ' O ' ' A' ' 40' ' ' LEU . 10.4 t70 90.71 2.54 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.362 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.576 ' SG ' HD12 ' A' ' 40' ' ' LEU . 4.1 p -104.56 11.92 33.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.304 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.882 ' O ' HD12 ' A' ' 47' ' ' ILE . 15.7 t -92.25 -27.31 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -79.96 -34.99 38.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.656 ' OE2' HD12 ' A' ' 17' ' ' ILE . 6.2 pt-20 -81.16 -9.5 59.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.671 ' HB2' ' CG2' ' A' ' 17' ' ' ILE . . . -92.11 -22.5 19.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.882 HD12 ' O ' ' A' ' 43' ' ' VAL . 3.6 mt -91.0 -45.19 14.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.37 -43.18 88.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 70.5 m -71.0 -17.89 62.62 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.404 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 15.2 t -86.83 114.02 56.1 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 108.304 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -28.33 9.25 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.479 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -81.91 -6.86 59.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.479 ' C ' ' O ' ' A' ' 52' ' ' ALA . 0.2 OUTLIER 32.98 45.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.87 -11.64 59.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.801 HD13 ' HA ' ' A' ' 4' ' ' VAL . 6.6 mm -87.78 129.86 38.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.605 HG23 ' HB3' ' A' ' 3' ' ' GLU . 2.5 m -138.3 173.24 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.581 1.175 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.442 ' O ' ' OXT' ' A' ' 58' ' ' SER . 9.8 ptm180 -109.05 17.72 21.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.442 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 9.4 t . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 1.0 110.011 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' F3S . . . . . 0.413 ' S3 ' HG12 ' A' ' 55' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.512 ' CG ' ' O ' ' A' ' 36' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.933 0 N-CA-C 111.012 -0.418 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.642 HD11 ' CG1' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -79.95 127.22 39.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -140.69 153.76 46.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.361 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.408 HG22 ' H ' ' A' ' 5' ' ' ASN . 1.2 p -103.04 171.08 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.374 1.046 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.903 ' HB2' ' HB1' ' A' ' 54' ' ' ALA . 11.9 m-20 -114.0 -170.2 1.67 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -105.36 -35.17 7.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.181 . . . . 0.0 109.34 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.21 -18.89 64.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -53.84 145.09 16.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 108.286 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.737 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 8.4 ttt -98.07 -24.09 15.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.737 ' HB3' ' O ' ' A' ' 9' ' ' MET . . . 90.88 65.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.222 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -31.08 64.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 108.326 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 77.37 8.66 2.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.332 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.78 -49.9 48.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.356 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 1.002 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 19.4 p -61.21 -30.72 70.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.095 . . . . 0.0 108.314 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.554 HG11 ' HG3' ' A' ' 24' ' ' MET . 87.7 t -74.43 -38.89 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.78 -24.0 52.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.444 HG21 ' N ' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -86.65 -38.41 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.516 ' SG ' HG23 ' A' ' 21' ' ' VAL . 1.4 t -141.32 73.1 25.88 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 108.358 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HB3' ' O ' ' A' ' 15' ' ' VAL . 18.5 Cg_endo -74.9 4.26 4.84 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.432 1.754 . . . . 0.0 111.065 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -102.73 -8.2 21.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.516 HG23 ' SG ' ' A' ' 18' ' ' CYS . 58.1 t -116.37 -31.76 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.462 ' C ' HD11 ' A' ' 34' ' ' ILE . 36.8 m-85 -133.48 125.43 28.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.422 1.076 . . . . 0.0 111.004 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.445 ' CB ' ' CD1' ' A' ' 34' ' ' ILE . 1.7 tt0 -123.0 130.05 52.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.419 1.075 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.554 ' HG3' HG11 ' A' ' 15' ' ' VAL . 2.9 mtm -38.04 156.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 110.987 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.624 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 26.5 t30 -75.21 -147.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.624 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 5.3 tt0 -68.27 -22.89 64.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 0.0 110.277 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -149.56 15.44 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.29 28.03 68.81 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -87.99 -7.85 56.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 0.756 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 31' ' ' ALA . 6.4 tttm -169.23 89.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' LYS . . . -39.33 121.78 1.21 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.554 HG12 ' N ' ' A' ' 33' ' ' VAL . 43.5 t -97.15 169.83 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.642 ' CG1' HD11 ' A' ' 2' ' ' ILE . 61.4 t -98.17 143.96 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.462 HD11 ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -120.13 -36.33 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.496 ' C ' ' H ' ' A' ' 37' ' ' ASP . 5.1 t-20 -115.69 86.69 16.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.4 1.063 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.556 ' HA ' ' CD1' ' A' ' 2' ' ' ILE . 18.4 Cg_endo -74.98 33.43 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.468 1.773 . . . . 0.0 111.034 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.496 ' H ' ' C ' ' A' ' 35' ' ' ASN . 27.1 t70 171.24 42.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.09 -169.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.041 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.61 30.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.464 HD23 ' N ' ' A' ' 40' ' ' LEU . 2.9 mt -90.94 -167.42 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -125.24 27.89 6.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.579 1.175 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.464 ' HA ' ' HG3' ' A' ' 45' ' ' GLU . 0.8 OUTLIER -106.18 -10.94 16.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 108.31 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 46' ' ' ALA . 59.9 t -72.1 -55.73 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.33 -24.46 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.414 1.071 . . . . 0.0 110.277 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 49' ' ' SER . 0.3 OUTLIER -88.06 -35.11 17.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 1.002 ' HB1' ' HB2' ' A' ' 14' ' ' CYS . . . -64.38 -23.39 67.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -90.64 -51.39 11.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.52 -22.08 66.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.163 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 53.5 m -91.08 -15.63 29.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.009 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 51.8 t -88.63 112.6 51.3 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 108.253 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 49' ' ' SER . 18.2 Cg_endo -75.03 -32.88 4.97 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.485 1.782 . . . . 0.0 110.956 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -85.06 -7.03 59.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 52' ' ' ALA . 2.4 tm-20 35.58 45.73 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.903 ' HB1' ' HB2' ' A' ' 5' ' ' ASN . . . -79.5 -16.07 56.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.847 HG23 ' S3 ' ' A' ' 59' ' ' F3S . 9.9 pt -88.7 117.08 31.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 m -112.91 162.33 11.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 0.0 109.241 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.932 ' O ' ' OXT' ' A' ' 58' ' ' SER . 58.2 mtm180 -105.16 39.64 1.68 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.932 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 12.0 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 1.0 109.964 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' F3S . . . . . 0.847 ' S3 ' HG23 ' A' ' 55' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.586 ' HB2' HD13 ' A' ' 2' ' ' ILE . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.951 0 N-CA-C 111.061 -0.4 . . . . 0.0 111.061 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.973 HD11 HG11 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -50.6 -179.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.454 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . 2.3 tp10 -152.37 156.9 40.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.502 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 3.2 p -136.32 -44.64 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.362 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 4' ' ' VAL . 0.5 OUTLIER 82.81 -171.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.85 -12.55 13.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.6 -20.37 65.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.473 ' SG ' ' N ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -56.25 162.38 2.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 108.276 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.686 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 7.2 mtm -98.86 -90.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.051 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 162.27 50.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.419 ' SG ' ' S4 ' ' A' ' 59' ' ' F3S . 4.3 p -72.71 -40.88 65.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.065 . . . . 0.0 108.302 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 11' ' ' CYS . 41.2 tt0 79.61 16.2 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.24 -50.31 48.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.42 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 22.7 p -62.82 -30.86 71.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 108.334 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 22' ' ' PHE . 40.8 t -73.82 -34.42 40.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.24 -19.4 53.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.547 HD12 ' HG3' ' A' ' 45' ' ' GLU . 0.5 OUTLIER -91.4 -38.51 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 109.327 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.16 78.87 9.34 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.298 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.459 ' HA ' ' O ' ' A' ' 22' ' ' PHE . 18.4 Cg_endo -74.97 4.03 5.08 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.51 1.795 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -98.1 -15.13 20.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.232 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.873 HG21 HD11 ' A' ' 40' ' ' LEU . 47.5 t -113.79 -25.5 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.543 ' O ' HG22 ' A' ' 15' ' ' VAL . 29.4 m-85 -139.59 122.22 16.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.478 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 6.2 tt0 -137.87 145.0 41.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.245 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.428 ' HB3' ' HA2' ' A' ' 28' ' ' GLY . 2.6 mtp -55.25 150.44 11.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 30' ' ' LYS . 12.7 p-10 -67.46 -155.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.74 -53.06 20.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 110.327 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -73.96 -5.28 40.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 110.262 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.457 ' N ' ' OD1' ' A' ' 25' ' ' ASN . . . 61.0 34.1 86.56 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.55 -2.66 8.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 25' ' ' ASN . 4.2 tptm -132.81 121.68 23.33 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.89 100.93 3.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.508 HG12 ' N ' ' A' ' 33' ' ' VAL . 79.3 t -92.11 166.03 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.973 HG11 HD11 ' A' ' 2' ' ' ILE . 60.2 t -97.43 144.33 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -116.09 -31.37 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.479 ' C ' ' H ' ' A' ' 37' ' ' ASP . 3.1 t-20 -117.95 79.09 13.43 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.587 ' HA ' ' CD1' ' A' ' 2' ' ' ILE . 18.4 Cg_endo -74.97 38.39 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.455 1.766 . . . . 0.0 111.04 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.479 ' H ' ' C ' ' A' ' 35' ' ' ASN . 19.1 t0 172.55 43.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.223 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -164.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.473 1.108 . . . . 0.0 110.003 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -171.48 33.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.24 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.873 HD11 HG21 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -113.11 -175.63 2.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 109.347 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 44' ' ' GLU . 10.1 t70 -98.77 -18.06 18.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.746 ' SG ' HD13 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -42.63 -30.58 0.38 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.168 . . . . 0.0 108.294 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.465 HG12 ' CD1' ' A' ' 47' ' ' ILE . 21.4 t -62.33 -51.67 69.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.37 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 41' ' ' ASP . 6.6 mt-10 -55.5 -43.19 75.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.547 ' HG3' HD12 ' A' ' 17' ' ' ILE . 21.7 pt-20 -83.06 0.28 45.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.484 ' HB2' ' O ' ' A' ' 42' ' ' CYS . . . -103.28 -20.0 14.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.523 ' CG1' HG22 ' A' ' 55' ' ' ILE . 1.0 OUTLIER -96.99 -40.09 9.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.54 -31.74 72.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.3 m -82.59 -7.83 59.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.449 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 48.1 t -88.3 112.9 52.65 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.397 1.061 . . . . 0.0 108.31 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -32.68 5.28 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.428 1.751 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -84.97 -7.2 59.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.449 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 1.1 mm-40 34.51 45.86 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.71 -21.9 40.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.085 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.523 HG22 ' CG1' ' A' ' 47' ' ' ILE . 7.1 mt -88.49 139.39 17.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.333 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.454 ' CG2' ' HB3' ' A' ' 3' ' ' GLU . 5.0 m -141.47 -178.33 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.643 ' O ' ' OXT' ' A' ' 58' ' ' SER . 0.8 OUTLIER -118.56 47.5 1.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.323 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.643 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 1.0 110.004 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' F3S . . . . . 0.514 ' S3 ' HD12 ' A' ' 55' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.779 HD11 ' CG1' ' A' ' 33' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 55' ' ' ILE . 3.3 mt-10 -135.19 142.88 46.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.334 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.771 HG21 ' HB3' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -103.89 15.68 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 60.3 -169.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -112.13 -28.35 8.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.356 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -60.16 -21.47 61.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.354 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.414 ' HB2' ' CB ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -55.78 157.99 3.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 108.348 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.631 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 5.4 mtt -108.64 -84.61 0.54 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.631 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 168.0 59.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.3 t -72.08 -29.82 64.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.143 . . . . 0.0 108.265 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 70.13 14.01 7.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.02 -49.26 59.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.417 ' O ' HG22 ' A' ' 17' ' ' ILE . 26.8 p -61.9 -31.58 71.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 108.304 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.776 HG22 ' O ' ' A' ' 22' ' ' PHE . 79.5 t -75.44 -30.61 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.31 -10.04 59.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.672 HD12 ' HG3' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -103.06 -43.11 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -148.73 84.35 6.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 108.298 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.412 ' O ' ' CD1' ' A' ' 34' ' ' ILE . 18.2 Cg_endo -75.0 4.0 5.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.478 1.778 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.12 -10.79 22.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.643 HG21 HD11 ' A' ' 40' ' ' LEU . 49.4 t -114.03 -34.1 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.776 ' O ' HG22 ' A' ' 15' ' ' VAL . 30.4 m-85 -136.34 121.08 18.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.485 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 4.8 tt0 -129.63 158.33 39.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.48 ' N ' ' CG ' ' A' ' 23' ' ' GLU . 0.4 OUTLIER -62.26 146.71 50.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.967 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.537 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 23.0 t30 -60.89 -144.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.537 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -81.52 -24.59 36.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.27 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -133.84 5.92 3.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.55 22.05 79.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -80.5 -4.77 55.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -167.85 148.6 5.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.771 ' HB3' HG21 ' A' ' 4' ' ' VAL . . . -77.27 111.67 13.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 23' ' ' GLU . 0.4 OUTLIER -93.79 145.72 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.779 ' CG1' HD11 ' A' ' 2' ' ' ILE . 35.4 t -85.58 145.76 7.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.485 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -120.68 -33.54 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.495 ' C ' ' H ' ' A' ' 37' ' ' ASP . 2.9 t-20 -116.73 80.81 11.08 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.536 ' HA ' ' CD1' ' A' ' 2' ' ' ILE . 18.2 Cg_endo -75.0 35.09 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.461 1.769 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.495 ' H ' ' C ' ' A' ' 35' ' ' ASN . 48.0 t0 175.23 42.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.421 ' OG ' HD11 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -58.93 -162.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.038 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -170.59 32.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.976 HD13 ' HB2' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -123.65 169.13 11.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 44' ' ' GLU . 21.0 t70 -81.96 -1.73 49.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.976 ' HB2' HD13 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -52.45 -29.05 22.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 108.292 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.789 ' O ' HD12 ' A' ' 47' ' ' ILE . 25.6 t -69.91 -30.25 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.9 mt-10 -74.34 -39.85 62.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.672 ' HG3' HD12 ' A' ' 17' ' ' ILE . 12.0 pt-20 -84.39 -27.6 27.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.256 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 42' ' ' CYS . . . -73.82 -23.41 59.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.789 HD12 ' O ' ' A' ' 43' ' ' VAL . 5.6 mt -90.52 -50.84 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -57.18 -51.78 67.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.1 m -61.15 -17.27 52.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.986 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 15.9 t -88.09 113.61 55.69 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 108.29 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.55 9.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.439 1.758 . . . . 0.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -81.26 -7.92 59.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 52' ' ' ALA . 1.7 tt0 36.19 45.41 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.591 ' HB1' ' O ' ' A' ' 4' ' ' VAL . . . -82.72 -12.31 57.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.641 HD13 HG12 ' A' ' 4' ' ' VAL . 2.5 mm -86.86 129.12 38.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -145.52 153.24 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.805 ' O ' ' OXT' ' A' ' 58' ' ' SER . 65.8 mtm-85 -87.74 43.22 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.805 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 2.4 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 1.0 109.991 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.931 HD11 ' O ' ' A' ' 35' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.71 150.8 39.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.279 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.519 HG11 ' O ' ' A' ' 31' ' ' ALA . 2.8 p -114.83 140.19 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.57 ' HB2' ' HB1' ' A' ' 54' ' ' ALA . 6.4 m-20 -78.81 -172.22 2.92 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -104.75 -14.82 15.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -28.52 69.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.6 t -55.06 145.84 19.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 108.273 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.628 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 4.3 mmt -98.5 -68.06 0.82 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 167.78 48.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.378 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 78.6 m -73.15 -37.79 66.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 108.352 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 58.66 25.17 12.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.174 . . . . 0.0 110.343 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.68 -49.11 61.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.932 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 1.7 m -63.12 -29.62 70.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 108.287 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.535 HG22 ' CB ' ' A' ' 22' ' ' PHE . 79.4 t -74.86 -32.81 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.91 -16.47 59.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.489 HD12 ' OE2' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -103.43 -31.3 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.352 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.535 ' SG ' ' CG2' ' A' ' 21' ' ' VAL . 5.3 t -144.52 72.95 15.69 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 108.279 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 4.31 4.86 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.498 1.789 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.83 -11.39 18.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.378 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.535 ' CG2' ' SG ' ' A' ' 18' ' ' CYS . 69.6 t -115.52 -20.83 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.535 ' CB ' HG22 ' A' ' 15' ' ' VAL . 34.4 m-85 -139.0 134.82 33.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 110.963 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -149.92 136.22 18.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.423 ' HB3' ' HA2' ' A' ' 28' ' ' GLY . 0.9 OUTLIER -51.79 145.92 8.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 28' ' ' GLY . 11.6 p-10 -61.18 -155.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -70.27 -53.86 15.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.427 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 1.9 mm-40 -71.04 -14.04 62.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.342 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.487 ' N ' ' OD1' ' A' ' 25' ' ' ASN . . . 67.27 40.05 92.1 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.587 1.179 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.97 -12.23 12.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 0.776 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -136.65 137.64 40.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.519 ' O ' HG11 ' A' ' 4' ' ' VAL . . . -84.77 96.22 9.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.249 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.4 t -83.21 146.08 7.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.571 HG21 ' O ' ' A' ' 2' ' ' ILE . 74.0 t -77.48 137.02 23.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.476 HG13 ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -110.28 -32.44 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.208 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.931 ' O ' HD11 ' A' ' 2' ' ' ILE . 11.3 t-20 -113.04 92.18 20.62 Favored Pre-proline 0 C--N 1.323 -0.548 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 34' ' ' ILE . 18.2 Cg_endo -74.93 32.84 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.41 1.742 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.507 ' H ' ' C ' ' A' ' 35' ' ' ASN . 28.6 t70 177.26 40.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.724 ' OG ' HD12 ' A' ' 40' ' ' LEU . 12.5 t -31.42 -69.37 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.01 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.406 ' CB ' ' O ' ' A' ' 38' ' ' SER . 9.0 t70 75.74 9.63 3.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.724 HD12 ' OG ' ' A' ' 38' ' ' SER . 0.7 OUTLIER -85.99 -144.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 41' ' ' ASP . 8.9 t70 -140.37 13.38 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.6 p -95.81 -10.64 28.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 108.235 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.558 ' O ' HD12 ' A' ' 47' ' ' ILE . 71.3 t -69.43 -35.47 67.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.34 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.51 -41.35 96.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.489 ' OE2' HD12 ' A' ' 17' ' ' ILE . 18.6 pt-20 -81.34 -8.37 59.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.253 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.932 ' HB1' ' HB3' ' A' ' 14' ' ' CYS . . . -95.42 -13.44 24.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.558 HD12 ' O ' ' A' ' 43' ' ' VAL . 3.6 mt -105.39 -47.72 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.226 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.33 -43.22 96.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.1 m -71.67 -9.05 57.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 110.006 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.509 ' SG ' ' CD1' ' A' ' 55' ' ' ILE . 49.3 t -87.4 113.99 56.64 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.315 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -32.03 5.79 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -88.93 -8.69 53.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 109.347 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 52' ' ' ALA . 41.0 mt-10 37.73 50.56 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.57 ' HB1' ' HB2' ' A' ' 5' ' ' ASN . . . -77.45 -10.7 59.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.619 HD12 ' H ' ' A' ' 55' ' ' ILE . 3.8 mp -87.02 110.52 20.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.1 m -113.83 165.65 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.461 ' O ' ' OXT' ' A' ' 58' ' ' SER . 0.1 OUTLIER -90.31 35.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.461 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 1.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 1.004 HD11 HG11 ' A' ' 33' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.441 ' O ' ' HA ' ' A' ' 55' ' ' ILE . 10.9 tt0 -148.92 141.85 24.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.264 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.415 ' O ' ' HB2' ' A' ' 5' ' ' ASN . 7.4 p -107.61 -23.8 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 4' ' ' VAL . 76.4 m-20 63.97 -171.12 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -107.63 -6.05 17.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -67.28 -39.65 86.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.469 ' SG ' ' N ' ' A' ' 9' ' ' MET . 0.8 OUTLIER -47.98 162.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 108.291 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.622 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 1.0 OUTLIER -103.01 -77.36 0.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 111.012 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.622 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 168.8 41.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 m -66.51 -37.33 84.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 108.329 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.41 ' CD ' ' CG ' ' A' ' 24' ' ' MET . 1.3 mt-10 58.85 17.93 5.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.358 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.68 -47.38 72.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.63 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 1.2 m -61.91 -31.51 71.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 108.303 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.706 HG22 ' HB2' ' A' ' 22' ' ' PHE . 66.6 t -75.7 -29.82 20.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.77 9.98 3.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 110.262 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.721 HD11 ' OE1' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -133.95 -43.66 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.579 1.174 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.4 t -125.29 74.14 67.7 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 108.291 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD3' ' C ' ' A' ' 17' ' ' ILE . 18.4 Cg_endo -75.05 2.1 7.03 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.569 1.826 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -101.17 -11.92 19.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.241 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.587 HG12 ' CE1' ' A' ' 22' ' ' PHE . 62.8 t -112.35 -26.44 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.706 ' HB2' HG22 ' A' ' 15' ' ' VAL . 25.0 m-85 -139.05 133.84 32.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -141.19 136.87 32.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.322 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.423 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -40.92 153.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 111.042 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.612 ' OD1' ' N ' ' A' ' 28' ' ' GLY . 20.0 p-10 -91.48 -150.85 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.518 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 2.4 tt0 -43.44 -36.11 1.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.265 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.453 ' CG ' ' C ' ' A' ' 26' ' ' GLU . 4.3 mt-10 -154.56 31.07 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.612 ' N ' ' OD1' ' A' ' 25' ' ' ASN . . . 69.08 11.14 63.22 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -58.04 -17.18 16.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 109.296 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.7 pttt -167.33 109.2 0.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.75 104.62 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.568 HG12 ' N ' ' A' ' 33' ' ' VAL . 53.2 t -76.08 169.96 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.004 HG11 HD11 ' A' ' 2' ' ' ILE . 59.6 t -105.24 141.98 19.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.463 HG13 ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -118.72 -31.01 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.475 ' C ' ' H ' ' A' ' 37' ' ' ASP . 21.2 t-20 -115.51 82.29 9.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.599 ' HA ' ' CD1' ' A' ' 2' ' ' ILE . 18.2 Cg_endo -74.94 37.58 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.515 1.797 . . . . 0.0 110.968 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.475 ' H ' ' C ' ' A' ' 35' ' ' ASN . 34.6 t0 179.17 40.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.366 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.464 ' CB ' HG22 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -83.43 -76.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.963 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 t0 40.25 46.38 1.93 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 1.157 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.697 ' O ' HD12 ' A' ' 40' ' ' LEU . 2.5 pp -108.97 44.16 1.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 44' ' ' GLU . 18.0 t0 79.49 -51.35 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.9 t -43.33 -30.39 0.51 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 108.237 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.429 ' N ' ' C ' ' A' ' 41' ' ' ASP . 2.5 t -76.47 -46.4 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 41' ' ' ASP . 8.3 mt-10 -56.86 -32.92 66.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.356 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.721 ' OE1' HD11 ' A' ' 17' ' ' ILE . 9.4 pt-20 -89.24 -4.59 58.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.335 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.63 ' HB1' ' HB3' ' A' ' 14' ' ' CYS . . . -100.73 -15.8 17.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.471 ' CG1' ' CG2' ' A' ' 55' ' ' ILE . 6.0 mt -99.43 -36.07 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -65.34 -19.64 66.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.44 ' O ' ' HD3' ' A' ' 51' ' ' PRO . 48.7 m -99.73 -1.03 38.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 110.053 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 53.8 t -88.68 111.64 45.43 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.455 1.097 . . . . 0.0 108.328 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' A' ' 49' ' ' SER . 18.3 Cg_endo -75.01 -32.51 5.3 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.468 1.772 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -85.82 -6.68 59.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.24 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.45 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 4.0 tt0 38.22 38.45 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.85 -9.74 58.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.471 ' CG2' ' CG1' ' A' ' 47' ' ' ILE . 1.0 OUTLIER -85.46 119.7 34.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.61 1.194 . . . . 0.0 109.332 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.421 HG23 ' HB3' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -128.49 162.03 36.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.87 48.87 1.14 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 1.0 109.981 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.791 HD13 ' HA ' ' A' ' 37' ' ' ASP . 2.0 mp . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.627 ' HA ' HG21 ' A' ' 33' ' ' VAL . 11.3 mt-10 -135.31 -156.13 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.488 ' CG1' HG12 ' A' ' 55' ' ' ILE . 0.4 OUTLIER -127.36 -104.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.478 ' N ' ' OD1' ' A' ' 5' ' ' ASN . 0.2 OUTLIER 178.01 -171.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -93.56 3.51 55.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.338 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.9 -41.72 11.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.597 1.186 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -45.38 162.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 108.242 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.652 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -106.69 -86.35 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.652 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 166.5 61.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.392 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 12' ' ' GLU . 1.8 t -72.22 -30.09 64.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 108.275 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.497 ' OE2' ' CG ' ' A' ' 24' ' ' MET . 1.2 tt0 73.14 10.68 5.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 110.284 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.09 -49.39 51.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.627 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 20.3 p -56.6 -42.15 78.24 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 0.0 108.244 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.765 HG22 ' O ' ' A' ' 22' ' ' PHE . 51.2 t -71.45 -30.39 39.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -85.0 41.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.323 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -170.37 -40.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.495 ' SG ' ' CG2' ' A' ' 21' ' ' VAL . 1.7 t -132.7 68.03 78.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 108.234 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 0.81 8.48 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.405 1.739 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.35 -0.43 43.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.529 HG21 HG23 ' A' ' 43' ' ' VAL . 44.3 t -124.5 -38.82 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.765 ' O ' HG22 ' A' ' 15' ' ' VAL . 18.6 m-85 -130.19 121.62 26.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 111.071 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 24' ' ' MET . 4.7 tt0 -126.44 143.47 51.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.497 ' CG ' ' OE2' ' A' ' 12' ' ' GLU . 1.4 mtp -40.43 163.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.663 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 28.9 t30 -84.69 -149.18 0.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.663 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 3.9 tt0 -66.7 -22.44 66.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.417 ' CG ' ' C ' ' A' ' 26' ' ' GLU . 3.0 mt-10 -152.17 19.14 0.66 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.403 ' HA2' ' HB3' ' A' ' 24' ' ' MET . . . 77.51 12.86 84.13 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.488 1.118 . . . . 0.0 111.018 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -62.82 -14.95 51.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.763 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -167.83 161.0 12.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.06 104.83 17.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.498 ' CG2' ' OD1' ' A' ' 25' ' ' ASN . 78.2 t -77.86 154.34 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.627 HG21 ' HA ' ' A' ' 3' ' ' GLU . 68.8 t -102.84 132.51 48.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.122 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.93 -35.06 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.509 ' C ' ' H ' ' A' ' 37' ' ' ASP . 5.5 t-20 -114.71 91.18 24.55 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 26.25 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.801 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.791 ' HA ' HD13 ' A' ' 2' ' ' ILE . 16.5 t0 178.41 39.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.615 ' HB3' HG21 ' A' ' 43' ' ' VAL . 8.5 t -36.49 -72.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.047 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER 79.72 1.94 2.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 109.371 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.532 HD12 ' OG ' ' A' ' 38' ' ' SER . 14.2 mt -66.87 -141.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -134.28 10.48 3.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.9 p -102.16 -22.66 14.16 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.528 1.143 . . . . 0.0 108.313 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.615 HG21 ' HB3' ' A' ' 38' ' ' SER . 2.7 t -59.81 -42.3 88.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -66.27 -16.73 64.26 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.561 1.163 . . . . 0.0 110.306 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 49' ' ' SER . 3.6 mm-40 -86.82 -33.96 19.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.285 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.627 ' HB1' ' HB2' ' A' ' 14' ' ' CYS . . . -65.81 -25.15 67.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.3 mt -88.37 -54.63 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.02 -20.18 56.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.47 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 67.8 m -94.79 -23.83 17.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.031 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.5 t -88.59 113.45 55.62 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.094 . . . . 0.0 108.223 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -23.42 13.86 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.529 1.805 . . . . 0.0 110.971 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.37 -11.12 57.97 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 38.43 37.02 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.35 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.475 ' O ' ' HA ' ' A' ' 4' ' ' VAL . . . -77.27 -10.93 59.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.488 HG12 ' CG1' ' A' ' 4' ' ' VAL . 3.7 mt -83.74 119.77 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.9 m -123.01 151.99 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' SER . 13.4 ptt-85 -100.82 40.48 1.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.17 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 57' ' ' ARG . 41.5 t . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 1.0 109.957 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.882 HD11 HG11 ' A' ' 33' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.699 ' O ' HD12 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -129.42 152.93 48.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.728 HG11 ' O ' ' A' ' 31' ' ' ALA . 13.9 p -108.88 -2.41 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.1 m120 62.12 -169.71 0.17 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -119.01 -42.89 2.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.83 -28.7 2.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.411 1.07 . . . . 0.0 109.256 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.457 ' SG ' ' N ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -53.26 161.0 0.99 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.492 1.12 . . . . 0.0 108.232 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.691 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 18.5 ttm -100.45 -85.05 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 111.065 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.691 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 163.06 51.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.28 -29.85 64.28 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.571 1.169 . . . . 0.0 108.276 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 70.31 24.86 4.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.65 -50.78 40.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.48 ' O ' HG22 ' A' ' 17' ' ' ILE . 25.3 p -63.28 -30.39 71.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 108.366 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 22' ' ' PHE . 90.8 t -74.6 -30.05 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -78.58 -17.81 55.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.619 HD12 ' HG3' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -95.44 -43.05 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.309 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.4 ' SG ' HG23 ' A' ' 21' ' ' VAL . 1.8 t -139.4 77.69 28.83 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 108.25 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 3.54 5.49 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.588 1.836 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.63 -13.29 19.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.42 ' C ' HG13 ' A' ' 34' ' ' ILE . 94.4 t -112.92 -27.39 2.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.605 ' O ' HG13 ' A' ' 15' ' ' VAL . 29.9 m-85 -136.48 117.74 14.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.471 ' CG ' ' N ' ' A' ' 24' ' ' MET . 3.9 tt0 -124.13 157.85 33.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 110.227 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.494 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -58.51 145.87 37.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.673 ' HB3' HG23 ' A' ' 32' ' ' VAL . 9.5 p-10 -79.03 -150.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.36 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.43 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 3.0 tt0 -55.35 -48.73 73.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -121.04 20.99 11.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.565 ' N ' ' OD1' ' A' ' 25' ' ' ASN . . . 55.19 20.19 20.13 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.628 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 1.5 t70 -76.43 -7.63 55.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 0.801 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -159.43 120.56 3.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.728 ' O ' HG11 ' A' ' 4' ' ' VAL . . . -57.41 109.27 0.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.673 HG23 ' HB3' ' A' ' 25' ' ' ASN . 3.1 t -86.24 155.63 3.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 109.342 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.882 HG11 HD11 ' A' ' 2' ' ' ILE . 46.3 t -93.24 137.79 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.42 HG13 ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -113.01 -30.69 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.413 1.07 . . . . 0.0 109.334 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.484 ' C ' ' H ' ' A' ' 37' ' ' ASP . 5.9 t-20 -115.94 81.76 10.2 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.57 ' HA ' ' CD1' ' A' ' 2' ' ' ILE . 18.2 Cg_endo -75.05 37.36 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.479 1.778 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.484 ' H ' ' C ' ' A' ' 35' ' ' ASN . 36.1 t70 174.06 44.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.43 -163.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 109.946 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -171.47 32.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 109.255 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.547 ' CD1' HG23 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -115.61 -171.01 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 44' ' ' GLU . 13.3 t70 -104.51 -11.2 17.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.229 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -51.8 -29.01 17.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 108.298 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.547 HG23 ' CD1' ' A' ' 40' ' ' LEU . 80.4 t -67.35 -27.73 39.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.7 tt0 -77.16 -42.96 35.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.33 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.619 ' HG3' HD12 ' A' ' 17' ' ' ILE . 3.5 pt-20 -82.24 -16.04 50.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 42' ' ' CYS . . . -86.62 -14.35 42.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.789 HG13 HG23 ' A' ' 55' ' ' ILE . 0.5 OUTLIER -102.48 -46.04 10.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.243 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.61 -29.47 70.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.37 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.0 m -81.82 -9.24 59.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.024 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.512 ' SG ' HG22 ' A' ' 55' ' ' ILE . 29.0 t -88.36 113.08 53.73 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.431 1.082 . . . . 0.0 108.254 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -31.93 5.73 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.48 1.779 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.39 -6.49 58.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.452 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 2.6 tp10 38.9 34.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.33 -18.59 57.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.393 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.789 HG23 HG13 ' A' ' 47' ' ' ILE . 1.0 OUTLIER -88.68 120.27 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.379 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -125.13 -178.96 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.914 ' O ' ' OXT' ' A' ' 58' ' ' SER . 9.4 mtt180 -121.83 43.22 2.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.414 1.071 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.914 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 18.9 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 1.0 109.968 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.609 HD11 ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.619 ' HB3' HG23 ' A' ' 56' ' ' VAL . 4.9 tt0 -134.43 148.06 50.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.617 ' O ' HG22 ' A' ' 4' ' ' VAL . 2.7 p -134.31 9.96 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.564 ' HB2' ' HB1' ' A' ' 54' ' ' ALA . 24.9 m-20 46.02 -170.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -119.85 -30.42 4.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.416 1.073 . . . . 0.0 109.349 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.02 -19.12 40.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.429 ' SG ' ' N ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -55.68 159.69 2.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 108.315 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.533 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 1.3 mtp -108.11 -92.68 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.533 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 173.59 41.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.7 t -61.75 -29.84 70.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 108.319 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 71.71 26.29 3.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.15 -48.92 55.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.53 ' O ' HG22 ' A' ' 17' ' ' ILE . 10.6 p -62.28 -34.49 76.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 108.298 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.469 HG13 ' HA ' ' A' ' 23' ' ' GLU . 25.3 t -74.64 -29.29 23.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -86.3 27.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 110.345 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.81 HD13 ' O ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -148.41 -46.55 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.241 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.56 ' SG ' HG23 ' A' ' 21' ' ' VAL . 3.9 t -135.51 83.5 36.82 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 108.237 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.513 ' O ' ' CD1' ' A' ' 34' ' ' ILE . 18.6 Cg_endo -74.98 7.9 2.65 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.538 1.809 . . . . 0.0 111.023 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -108.75 -7.62 15.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.711 HG12 ' CZ ' ' A' ' 22' ' ' PHE . 71.9 t -116.43 -34.72 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.711 ' CZ ' HG12 ' A' ' 21' ' ' VAL . 17.9 m-85 -141.35 125.51 17.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 111.054 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 1.007 ' O ' HG12 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -147.4 141.73 26.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.077 . . . . 0.0 110.328 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.449 ' C ' ' O ' ' A' ' 23' ' ' GLU . 2.0 mtm -33.94 142.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 30' ' ' LYS . 11.8 p-10 -70.64 -156.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.259 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -52.1 53.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.266 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.442 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 2.3 mm-40 -80.34 -3.4 49.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.473 ' N ' ' OD1' ' A' ' 25' ' ' ASN . . . 60.46 32.15 76.71 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.524 1.14 . . . . 0.0 111.059 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 1.1 t0 -112.37 -10.65 13.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.761 . . . . 0.0 109.387 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 25' ' ' ASN . 10.2 mtmm -137.4 128.46 27.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.61 95.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.007 HG12 ' O ' ' A' ' 23' ' ' GLU . 3.5 p -76.1 160.7 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.609 ' CG1' HD11 ' A' ' 2' ' ' ILE . 79.8 t -96.21 137.09 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.513 ' CD1' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -111.46 -26.79 3.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.431 1.082 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.589 ' O ' HD11 ' A' ' 2' ' ' ILE . 16.8 t-20 -113.14 89.35 13.97 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.446 ' HD3' ' O ' ' A' ' 34' ' ' ILE . 18.3 Cg_endo -74.99 28.56 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.435 1.755 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.508 ' H ' ' C ' ' A' ' 35' ' ' ASN . 33.1 t70 -172.73 34.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.1 t -50.75 -95.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.991 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 57.52 22.24 7.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.559 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 2.7 pp -94.85 22.24 6.66 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 40' ' ' LEU . 4.8 t70 87.11 -37.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.507 ' HA ' ' CG ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -41.66 -35.9 0.85 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.09 . . . . 0.0 108.282 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.993 HG12 ' CD1' ' A' ' 47' ' ' ILE . 2.2 t -68.96 -48.34 70.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.357 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -57.71 -28.18 63.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.69 ' OE1' HD11 ' A' ' 17' ' ' ILE . 12.1 pt-20 -98.04 -14.7 20.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.348 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 42' ' ' CYS . . . -93.06 -22.33 19.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.993 ' CD1' HG12 ' A' ' 43' ' ' VAL . 20.2 mt -87.88 -40.82 13.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.09 -26.4 68.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.401 ' O ' ' HD3' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -86.98 -15.32 39.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.079 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 34.9 t -84.92 113.31 49.06 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 108.323 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 49' ' ' SER . 18.3 Cg_endo -74.97 -32.54 5.34 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.528 1.804 . . . . 0.0 111.061 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -81.4 -6.78 59.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 52' ' ' ALA . 3.2 pt-20 34.17 45.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.327 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.564 ' HB1' ' HB2' ' A' ' 5' ' ' ASN . . . -84.65 -20.52 31.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.228 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.463 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 3.0 pt -91.82 129.98 41.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.619 HG23 ' HB3' ' A' ' 3' ' ' GLU . 3.2 m -143.2 -175.28 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 58' ' ' SER . 7.0 ptm180 -125.19 43.96 2.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.33 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 57' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 1.0 110.035 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.792 HD11 ' CG1' ' A' ' 33' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.469 ' CG ' ' C ' ' A' ' 2' ' ' ILE . 0.2 OUTLIER -159.96 -179.45 7.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.879 HG12 ' HA ' ' A' ' 55' ' ' ILE . 33.7 m -130.86 -162.59 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.94 -159.19 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -100.66 11.54 39.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.04 -34.44 12.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -51.33 157.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 108.32 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.58 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 7.9 mtt -102.88 -93.52 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 170.98 41.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.082 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.87 -28.97 67.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 108.293 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 69.91 30.91 3.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 0.0 110.259 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.33 -48.29 61.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.515 ' O ' HG22 ' A' ' 17' ' ' ILE . 10.2 p -62.16 -33.94 75.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 108.354 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.565 HG22 ' C ' ' A' ' 22' ' ' PHE . 75.9 t -74.12 -29.6 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -83.93 38.39 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.786 HD13 ' O ' ' A' ' 17' ' ' ILE . 0.1 OUTLIER -165.88 -42.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.1 t -135.18 71.85 67.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.616 1.197 . . . . 0.0 108.214 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.449 ' HA ' ' O ' ' A' ' 22' ' ' PHE . 18.4 Cg_endo -74.96 2.66 6.36 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.526 1.803 . . . . 0.0 111.019 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.52 -9.67 29.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.96 HG21 HD11 ' A' ' 40' ' ' LEU . 85.6 t -119.79 -34.3 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 1.0 ' CE1' HD11 ' A' ' 55' ' ' ILE . 24.5 m-85 -132.55 125.3 30.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.806 ' O ' HG12 ' A' ' 32' ' ' VAL . 9.4 tp10 -137.62 150.56 47.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.426 ' O ' ' O ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -51.43 150.54 3.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.969 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.56 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 28.4 t30 -60.83 -143.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.56 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -85.82 -22.0 27.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.233 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -140.35 11.7 2.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 1.081 . . . . 0.0 110.291 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.93 13.65 83.43 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.485 1.116 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.28 -15.31 15.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 0.75 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -179.28 159.36 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.59 114.33 17.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.377 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.806 HG12 ' O ' ' A' ' 23' ' ' GLU . 7.2 p -97.86 162.98 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.792 ' CG1' HD11 ' A' ' 2' ' ' ILE . 52.5 t -94.51 146.4 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.245 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.513 ' CD1' ' CB ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -119.65 -35.35 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.475 ' C ' ' H ' ' A' ' 37' ' ' ASP . 3.3 t-20 -117.41 79.72 12.11 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.409 1.068 . . . . 0.0 109.389 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.562 ' HA ' ' CD1' ' A' ' 2' ' ' ILE . 18.1 Cg_endo -75.04 39.09 0.57 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.485 1.781 . . . . 0.0 110.955 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.475 ' H ' ' C ' ' A' ' 35' ' ' ASN . 52.2 t0 170.79 42.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.77 -165.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -171.79 33.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.96 HD11 HG21 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -94.19 -168.61 1.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.589 1.181 . . . . 0.0 109.262 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -115.11 1.7 13.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.253 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.932 ' SG ' HD22 ' A' ' 40' ' ' LEU . 5.5 p -88.93 12.29 15.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 108.355 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.86 HG23 ' CD1' ' A' ' 40' ' ' LEU . 3.9 t -90.6 -34.42 6.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.4 -38.07 63.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 0.0 110.337 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -81.91 -13.2 57.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.572 ' HB2' ' O ' ' A' ' 42' ' ' CYS . . . -89.19 -20.27 24.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.701 HG13 HG23 ' A' ' 55' ' ' ILE . 1.2 mp -96.56 -41.37 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.35 -31.71 72.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.3 m -74.9 -9.42 58.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.962 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.459 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 40.7 t -86.65 113.2 51.72 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 108.377 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -32.21 5.49 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.791 . . . . 0.0 110.938 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -84.79 -6.34 59.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.459 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 5.2 pt-20 37.73 35.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' A' ' 4' ' ' VAL . . . -77.69 -17.83 57.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 1.0 HD11 ' CE1' ' A' ' 22' ' ' PHE . 5.7 tt -87.9 104.62 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.6 m -104.99 154.89 6.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.953 ' O ' ' OXT' ' A' ' 58' ' ' SER . 83.8 mtm180 -104.99 48.13 0.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.953 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 1.0 110.033 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.663 HD11 ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.741 ' HB3' HG23 ' A' ' 56' ' ' VAL . 22.9 tp10 -135.64 149.91 49.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.595 1.184 . . . . 0.0 110.352 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.6 p -158.77 97.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.9 ' OD1' ' HB1' ' A' ' 54' ' ' ALA . 0.9 OUTLIER -53.83 -172.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.434 ' C ' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -102.66 -32.99 9.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 6' ' ' ASP . 48.5 m-20 -39.07 -31.63 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.472 ' HB2' ' CB ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -52.45 156.58 1.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 108.269 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.653 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -104.81 -82.94 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 111.04 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.653 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 166.83 62.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.414 1.072 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.6 t -70.2 -40.24 74.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 108.343 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 78.49 6.94 2.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.175 . . . . 0.0 110.265 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.17 -48.93 60.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.481 ' O ' HG22 ' A' ' 17' ' ' ILE . 31.5 p -61.64 -31.83 71.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 108.263 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.528 HG13 ' O ' ' A' ' 22' ' ' PHE . 82.2 t -75.83 -30.96 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.69 -7.64 59.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 110.268 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.614 HD13 ' O ' ' A' ' 17' ' ' ILE . 0.3 OUTLIER -110.34 -28.66 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.503 ' SG ' HG23 ' A' ' 21' ' ' VAL . 2.0 t -151.1 75.26 8.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 108.282 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.484 ' O ' ' CD1' ' A' ' 34' ' ' ILE . 18.5 Cg_endo -75.01 5.79 3.78 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 0.7 OUTLIER -104.13 -13.79 16.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.592 1.182 . . . . 0.0 109.26 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.794 HG21 HD11 ' A' ' 40' ' ' LEU . 93.3 t -112.95 -24.72 3.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.763 ' CE1' HG12 ' A' ' 21' ' ' VAL . 9.6 m-85 -145.69 122.8 11.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 24' ' ' MET . 9.1 tt0 -134.0 134.04 42.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.415 1.072 . . . . 0.0 110.326 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -35.32 151.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 111.043 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.576 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 29.7 t30 -63.64 -143.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.576 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -83.59 -21.63 32.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 110.291 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -144.62 15.38 1.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.243 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.35 13.46 76.44 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.0 -20.63 54.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 0.778 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -178.1 162.45 1.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.251 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.55 106.06 17.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 109.38 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.491 ' CG2' ' OD1' ' A' ' 25' ' ' ASN . 87.0 t -81.28 152.8 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.663 ' CG1' HD11 ' A' ' 2' ' ' ILE . 86.4 t -88.39 135.95 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -113.03 -28.96 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.56 ' O ' ' CD1' ' A' ' 2' ' ' ILE . 13.4 t-20 -112.84 90.26 15.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 0.0 109.366 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.451 ' HD3' ' O ' ' A' ' 34' ' ' ILE . 18.5 Cg_endo -74.91 25.92 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.781 . . . . 0.0 111.076 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.508 ' O ' ' C ' ' A' ' 38' ' ' SER . 28.8 t70 -174.11 38.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.534 ' OG ' ' N ' ' A' ' 39' ' ' ASP . 0.2 OUTLIER -31.03 -87.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.596 1.185 . . . . 0.0 110.031 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.534 ' N ' ' OG ' ' A' ' 38' ' ' SER . 2.2 t0 81.61 24.87 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.852 HD13 ' HB3' ' A' ' 42' ' ' CYS . 0.4 OUTLIER -119.08 177.7 4.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -94.58 49.14 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.852 ' HB3' HD13 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -115.59 -25.73 7.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 108.279 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.474 HG12 ' CD1' ' A' ' 47' ' ' ILE . 1.9 t -73.52 -33.47 39.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.29 -33.17 69.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.251 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.599 ' HG3' HD12 ' A' ' 17' ' ' ILE . 14.5 pt-20 -91.33 -21.23 21.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.514 ' HA ' HG21 ' A' ' 17' ' ' ILE . . . -82.52 -27.73 31.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 109.359 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.474 ' CD1' HG12 ' A' ' 43' ' ' VAL . 28.6 mt -82.75 -48.63 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.23 -38.1 76.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.227 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.5 m -75.01 -21.96 58.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.97 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 19.0 t -88.03 113.73 56.16 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 108.29 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -30.42 7.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.773 . . . . 0.0 111.037 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.485 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -81.39 -6.78 59.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 52' ' ' ALA . 3.9 pm0 31.84 48.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.266 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.9 ' HB1' ' OD1' ' A' ' 5' ' ' ASN . . . -78.1 -23.09 48.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.42 HD12 HG13 ' A' ' 47' ' ' ILE . 6.2 pt -92.02 129.29 42.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.741 HG23 ' HB3' ' A' ' 3' ' ' GLU . 6.3 m -138.74 162.04 29.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 58' ' ' SER . 0.5 OUTLIER -119.35 45.15 2.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.326 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 57' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.365 1.041 . . . . 1.0 109.989 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.836 HD12 ' HA ' ' A' ' 36' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.472 ' HB3' HG23 ' A' ' 56' ' ' VAL . 2.2 tp10 -164.43 143.59 7.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -114.94 155.12 16.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.614 ' HB2' ' HB1' ' A' ' 54' ' ' ALA . 1.5 t-20 -91.95 -148.16 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -125.13 -42.16 2.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -63.72 -32.86 74.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.466 ' HB2' ' CB ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -45.42 141.34 2.67 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 108.278 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.682 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 35.0 mtt -107.25 -70.62 0.79 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.682 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 164.57 67.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.98 -33.78 68.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 108.262 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.733 ' O ' HG22 ' A' ' 15' ' ' VAL . 2.2 mt-10 68.25 9.01 6.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.7 -38.73 73.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.641 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 18.3 p -62.54 -42.19 99.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 108.283 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.927 HG12 ' CB ' ' A' ' 22' ' ' PHE . 4.9 m -72.77 -31.36 36.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.561 1.163 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.15 -33.36 75.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.435 HG21 ' N ' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -88.14 -42.99 15.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.501 ' SG ' ' CG2' ' A' ' 21' ' ' VAL . 2.7 t -126.08 74.27 71.91 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 108.276 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 1.99 7.13 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.441 1.758 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.3 -11.86 18.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.407 1.067 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.501 ' CG2' ' SG ' ' A' ' 18' ' ' CYS . 55.5 t -113.22 -23.36 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.927 ' CB ' HG12 ' A' ' 15' ' ' VAL . 39.7 m-85 -142.43 141.37 32.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -146.58 130.33 17.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.18 . . . . 0.0 110.282 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -39.23 151.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 111.038 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.572 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 21.3 t30 -66.64 -147.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.351 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.572 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 2.2 tt0 -74.67 -24.9 58.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.165 . . . . 0.0 110.284 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -142.06 11.32 1.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.42 ' O ' ' HB1' ' A' ' 10' ' ' ALA . . . 74.79 25.81 68.67 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.449 1.093 . . . . 0.0 111.009 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.29 -12.72 59.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 0.718 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.49 104.81 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.85 117.77 1.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.562 HG12 ' N ' ' A' ' 33' ' ' VAL . 60.1 t -91.58 170.31 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.816 HG21 HG13 ' A' ' 2' ' ' ILE . 85.9 t -112.37 131.9 62.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.406 HG13 ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -99.08 -33.03 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.488 ' C ' ' H ' ' A' ' 37' ' ' ASP . 4.4 t-20 -116.59 82.15 12.18 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.571 1.17 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.836 ' HA ' HD12 ' A' ' 2' ' ' ILE . 18.5 Cg_endo -74.95 36.87 0.45 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.546 1.814 . . . . 0.0 110.961 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.488 ' H ' ' C ' ' A' ' 35' ' ' ASN . 24.0 t70 170.97 41.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 109.348 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.03 -167.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 109.96 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -171.22 32.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.503 HD12 ' SG ' ' A' ' 42' ' ' CYS . 0.6 OUTLIER -97.28 -148.47 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.248 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -137.48 12.15 2.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.394 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.503 ' SG ' HD12 ' A' ' 40' ' ' LEU . 2.3 p -87.41 -16.11 35.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 108.28 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.475 ' O ' HD12 ' A' ' 47' ' ' ILE . 2.1 t -77.47 -28.14 15.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -68.57 -27.29 65.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 110.276 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 49' ' ' SER . 0.4 OUTLIER -84.88 -32.53 23.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.641 ' HB1' ' HB2' ' A' ' 14' ' ' CYS . . . -65.38 -24.93 67.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.475 HD12 ' O ' ' A' ' 43' ' ' VAL . 0.8 OUTLIER -88.22 -53.65 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.1 -18.12 59.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 61.6 m -97.24 -19.99 18.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.03 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.469 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 15.9 t -83.59 113.12 44.85 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 108.281 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 49' ' ' SER . 18.2 Cg_endo -74.97 -32.08 5.73 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.483 1.78 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -80.76 -5.9 57.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.287 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.469 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 0.1 OUTLIER 36.65 34.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.614 ' HB1' ' HB2' ' A' ' 5' ' ' ASN . . . -77.45 -23.33 50.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.501 ' O ' HG22 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -93.22 110.48 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.472 HG23 ' HB3' ' A' ' 3' ' ' GLU . 17.4 m -124.0 173.38 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.332 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 58' ' ' SER . 14.1 ptm180 -122.35 42.17 3.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.137 . . . . 0.0 110.233 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 57' ' ' ARG . 31.4 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 1.0 109.979 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.849 HD11 ' O ' ' A' ' 35' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.24 -165.47 1.97 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.105 . . . . 0.0 110.333 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.681 HG12 ' CA ' ' A' ' 55' ' ' ILE . 2.7 m -130.62 -110.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.564 ' OD1' ' HB1' ' A' ' 54' ' ' ALA . 0.2 OUTLIER 175.82 -171.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.58 -37.75 49.84 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -44.22 -51.07 8.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 9' ' ' MET . 0.1 OUTLIER -50.12 160.39 0.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 108.302 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.514 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 12.3 ttm -100.54 -88.31 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 110.985 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.546 ' HB1' ' O ' ' A' ' 28' ' ' GLY . . . 174.14 41.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.67 -26.93 67.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 108.283 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.812 ' O ' HG22 ' A' ' 15' ' ' VAL . 82.3 mt-10 59.36 17.97 6.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.62 -49.58 52.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.448 ' O ' HG22 ' A' ' 17' ' ' ILE . 1.2 p -52.75 -42.32 64.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 108.3 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.918 HG12 ' HB2' ' A' ' 22' ' ' PHE . 3.6 m -73.29 -29.23 27.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 109.33 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -14.86 63.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.782 HD12 ' OE2' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -108.48 -37.7 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.48 71.79 71.01 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.578 1.174 . . . . 0.0 108.254 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.473 ' HA ' ' O ' ' A' ' 22' ' ' PHE . 18.3 Cg_endo -74.95 3.95 5.14 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.499 1.789 . . . . 0.0 110.988 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -97.94 -13.02 21.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.828 HG21 HD11 ' A' ' 40' ' ' LEU . 61.0 t -114.09 -28.52 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.393 1.058 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.918 ' HB2' HG12 ' A' ' 15' ' ' VAL . 12.9 m-85 -135.36 137.73 42.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.082 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.438 ' O ' HG12 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -146.28 139.91 26.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 110.302 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.418 ' N ' ' HG2' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -41.74 142.06 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.549 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 21.3 t30 -61.94 -147.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.549 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 2.8 tt0 -74.19 -25.63 59.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.606 1.191 . . . . 0.0 110.249 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -135.44 6.19 3.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.546 ' O ' ' HB1' ' A' ' 10' ' ' ALA . . . 73.19 23.25 77.94 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.16 -7.52 54.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 0.741 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -171.62 133.01 0.76 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.232 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.83 112.43 1.64 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.466 HG23 ' OD1' ' A' ' 25' ' ' ASN . 0.5 OUTLIER -82.48 160.17 3.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.42 ' CG2' ' O ' ' A' ' 2' ' ' ILE . 87.5 t -110.6 129.39 65.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.434 HG13 ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -104.72 -39.81 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.849 ' O ' HD11 ' A' ' 2' ' ' ILE . 6.9 t-20 -116.26 86.38 17.41 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 29.76 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.479 1.778 . . . . 0.0 111.017 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.512 ' H ' ' C ' ' A' ' 35' ' ' ASN . 31.8 t70 -177.87 48.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.515 ' OG ' HG22 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -59.12 -161.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.012 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -171.38 32.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.886 HD22 ' SG ' ' A' ' 42' ' ' CYS . 0.3 OUTLIER -107.38 -169.07 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -115.24 15.87 16.92 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.886 ' SG ' HD22 ' A' ' 40' ' ' LEU . 4.6 p -102.05 17.84 22.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.272 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.667 HG23 ' CD1' ' A' ' 40' ' ' LEU . 7.0 t -103.09 -26.92 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -85.72 -23.44 27.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.782 ' OE2' HD12 ' A' ' 17' ' ' ILE . 22.2 pt-20 -85.08 -16.45 40.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 110.276 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.12 -19.03 30.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.75 HG12 HG23 ' A' ' 55' ' ' ILE . 50.2 mt -97.09 -45.06 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -59.37 -42.8 92.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.1 m -75.32 -9.15 58.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 39.7 t -88.01 112.97 52.67 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 108.26 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -32.79 5.19 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.458 1.767 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -82.14 -7.08 59.61 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.44 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 3.1 mt-10 35.93 36.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 0.0 110.315 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.564 ' HB1' ' OD1' ' A' ' 5' ' ' ASN . . . -78.03 -14.04 59.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.75 HG23 HG12 ' A' ' 47' ' ' ILE . 1.3 tt -86.57 112.12 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 m -111.17 158.04 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.579 1.174 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.503 ' O ' ' OXT' ' A' ' 58' ' ' SER . 4.1 ptt85 -121.0 48.28 1.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.503 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 19.1 t . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 1.0 109.977 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.792 ' O ' HG21 ' A' ' 33' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.466 ' CG ' HG23 ' A' ' 56' ' ' VAL . 5.3 pt-20 -117.85 167.78 11.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.398 1.061 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.418 HG22 ' N ' ' A' ' 5' ' ' ASN . 11.5 p -122.5 161.78 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.243 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.641 ' HB2' ' HB1' ' A' ' 54' ' ' ALA . 5.6 m-20 -91.13 -171.75 3.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.555 1.159 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -103.97 -27.26 12.26 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -62.45 -20.2 64.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.33 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.29 136.9 48.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 108.329 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.719 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -97.84 -16.1 19.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.18 . . . . 0.0 111.011 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 9' ' ' MET . . . 87.74 70.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.395 1.06 . . . . 0.0 109.335 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.57 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 0.6 OUTLIER -72.64 -40.92 66.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 108.318 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.57 ' CG ' ' O ' ' A' ' 11' ' ' CYS . 0.2 OUTLIER 90.05 7.87 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.42 -49.96 56.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.509 ' O ' HG22 ' A' ' 17' ' ' ILE . 21.7 p -62.44 -31.41 72.11 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.516 1.135 . . . . 0.0 108.333 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 22' ' ' PHE . 95.0 t -73.67 -31.4 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -83.71 -11.99 56.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.707 HD12 ' HG3' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -98.68 -33.05 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.458 ' SG ' HG23 ' A' ' 21' ' ' VAL . 0.7 OUTLIER -160.54 83.77 2.03 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.453 1.096 . . . . 0.0 108.318 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.511 ' O ' ' CD1' ' A' ' 34' ' ' ILE . 18.1 Cg_endo -75.01 5.4 4.01 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.467 1.772 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -100.03 -12.57 19.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.508 HG13 ' HB2' ' A' ' 38' ' ' SER . 25.1 t -112.16 -31.06 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.926 ' CE1' HD11 ' A' ' 55' ' ' ILE . 14.9 m-85 -140.82 127.44 20.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.484 ' CG ' ' N ' ' A' ' 24' ' ' MET . 9.0 tt0 -141.41 158.44 43.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.484 ' N ' ' CG ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -63.67 143.57 57.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 30' ' ' LYS . 13.1 p-10 -59.75 -154.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.98 -53.99 11.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -73.05 -4.8 34.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.474 ' N ' ' OD1' ' A' ' 25' ' ' ASN . . . 61.47 34.62 89.0 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.98 -1.5 8.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 109.363 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 25' ' ' ASN . 2.0 tptt -135.04 115.27 13.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.401 ' O ' HG11 ' A' ' 4' ' ' VAL . . . -72.35 100.07 2.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.547 HG12 ' N ' ' A' ' 33' ' ' VAL . 83.9 t -96.95 168.27 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.792 HG21 ' O ' ' A' ' 2' ' ' ILE . 24.5 t -92.79 144.1 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.088 . . . . 0.0 109.363 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.511 ' CD1' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -114.6 -32.67 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.598 ' O ' HD11 ' A' ' 2' ' ' ILE . 9.5 t-20 -111.18 96.66 31.61 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.538 ' C ' HD11 ' A' ' 2' ' ' ILE . 18.4 Cg_endo -74.99 24.63 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.461 1.769 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.589 ' O ' ' C ' ' A' ' 38' ' ' SER . 16.0 t0 -175.72 36.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.448 1.092 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.589 ' C ' ' O ' ' A' ' 37' ' ' ASP . 1.6 t -22.75 -77.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.048 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.558 ' CB ' ' O ' ' A' ' 38' ' ' SER . 4.8 t0 86.11 15.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.43 HD12 ' HB2' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -124.05 152.98 42.02 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.434 1.084 . . . . 0.0 109.253 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 44' ' ' GLU . 18.9 t70 -58.24 -16.38 13.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 46' ' ' ALA . 0.9 OUTLIER -41.92 -39.04 1.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 108.374 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.439 HG12 HD12 ' A' ' 47' ' ' ILE . 25.5 t -62.13 -49.0 85.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.353 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' ASP . 0.2 OUTLIER -57.63 -46.51 84.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.595 1.184 . . . . 0.0 110.348 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.707 ' HG3' HD12 ' A' ' 17' ' ' ILE . 16.0 pt-20 -78.11 -15.09 59.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.242 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 42' ' ' CYS . . . -88.53 -15.38 35.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.502 ' CG1' ' CG2' ' A' ' 55' ' ' ILE . 6.2 mt -98.93 -44.34 11.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.04 -15.83 60.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.428 ' O ' ' HD3' ' A' ' 51' ' ' PRO . 1.2 m -99.62 -16.1 18.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.954 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 44.6 t -88.52 112.13 48.17 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 108.337 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 49' ' ' SER . 18.1 Cg_endo -75.02 -33.6 4.43 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.789 . . . . 0.0 110.959 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -82.15 -7.0 59.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.095 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 52' ' ' ALA . 13.2 mt-10 34.12 45.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.373 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.641 ' HB1' ' HB2' ' A' ' 5' ' ' ASN . . . -78.29 -13.44 59.85 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.926 HD11 ' CE1' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -88.55 108.7 19.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.466 HG23 ' CG ' ' A' ' 3' ' ' GLU . 3.1 m -108.5 154.17 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.357 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.731 ' O ' ' OXT' ' A' ' 58' ' ' SER . 7.9 mtt180 -104.12 51.98 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.731 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 31.6 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 1.0 110.0 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.668 ' O ' HG21 ' A' ' 33' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -116.53 163.4 16.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.254 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.0 p -121.37 149.68 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.669 ' HB2' ' HB1' ' A' ' 54' ' ' ALA . 4.1 m-20 -84.0 -171.48 3.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -109.24 -27.73 9.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -21.68 65.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -55.09 150.44 10.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.405 1.066 . . . . 0.0 108.277 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.676 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 2.1 tpp -108.04 -70.94 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.676 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 162.96 58.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.416 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 4.1 m -70.09 -28.69 65.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 108.3 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.508 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 0.3 OUTLIER 59.54 14.16 3.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.43 -48.58 55.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.461 ' O ' HG22 ' A' ' 17' ' ' ILE . 30.7 p -61.67 -33.63 74.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 108.296 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.7 t -75.03 -30.87 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -81.84 -16.02 52.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.158 . . . . 0.0 110.332 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.704 HD12 ' HG3' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -94.9 -42.53 12.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.502 ' SG ' HG23 ' A' ' 21' ' ' VAL . 0.7 OUTLIER -147.93 84.42 6.93 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 108.309 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.424 ' O ' ' CD1' ' A' ' 34' ' ' ILE . 18.2 Cg_endo -75.05 3.16 5.89 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.521 1.801 . . . . 0.0 110.937 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 4.2 t70 -99.21 -13.4 19.74 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.671 HG13 ' HB2' ' A' ' 38' ' ' SER . 48.1 t -109.21 -31.59 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.549 ' CZ ' HG21 ' A' ' 55' ' ' ILE . 61.0 m-85 -135.12 124.94 25.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.512 ' CG ' ' N ' ' A' ' 24' ' ' MET . 1.3 tt0 -126.04 161.73 26.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 110.334 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.512 ' N ' ' CG ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -77.24 143.33 39.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.462 ' OD1' ' N ' ' A' ' 28' ' ' GLY . 12.0 p-10 -64.86 -157.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -67.0 -54.59 20.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.385 1.053 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -77.54 0.65 22.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.462 ' N ' ' OD1' ' A' ' 25' ' ' ASN . . . 57.17 29.95 60.38 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.458 1.099 . . . . 0.0 111.017 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.5 OUTLIER -117.35 -9.27 10.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 0.773 . . . . 0.0 109.26 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.431 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.3 ttpt -121.18 111.85 17.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.24 99.65 0.94 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.351 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.556 HG12 ' N ' ' A' ' 33' ' ' VAL . 58.3 t -90.36 168.77 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.668 HG21 ' O ' ' A' ' 2' ' ' ILE . 59.3 t -96.73 148.58 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.539 HG13 ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -126.8 -33.5 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.357 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.515 ' O ' ' CD1' ' A' ' 2' ' ' ILE . 32.5 t-20 -113.95 88.4 14.38 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 34' ' ' ILE . 18.2 Cg_endo -75.05 40.1 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.489 1.784 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.457 ' H ' ' C ' ' A' ' 35' ' ' ASN . 36.0 t70 177.44 37.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.671 ' HB2' HG13 ' A' ' 21' ' ' VAL . 39.1 t -58.72 -83.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.476 1.11 . . . . 0.0 110.049 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 t0 47.18 40.95 10.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.565 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 1.8 pp -113.39 27.64 9.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.565 ' CB ' ' O ' ' A' ' 40' ' ' LEU . 10.7 t0 87.49 -36.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.165 . . . . 0.0 109.249 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.535 ' O ' ' CB ' ' A' ' 46' ' ' ALA . 1.2 m -49.58 -34.54 18.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 108.384 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.672 HG12 HD12 ' A' ' 47' ' ' ILE . 98.7 t -69.22 -34.21 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 41' ' ' ASP . 23.7 tt0 -70.55 -38.08 74.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.704 ' HG3' HD12 ' A' ' 17' ' ' ILE . 11.0 pt-20 -87.35 -23.83 24.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.251 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.535 ' CB ' ' O ' ' A' ' 42' ' ' CYS . . . -78.82 -22.12 46.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.672 HD12 HG12 ' A' ' 43' ' ' VAL . 5.8 mt -90.53 -48.43 14.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -58.93 -38.84 79.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 93.5 p -74.23 -19.67 60.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.98 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 42.5 t -87.2 113.32 53.23 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 108.283 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -31.53 6.11 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.546 1.813 . . . . 0.0 111.044 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.455 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -84.19 -6.8 59.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 52' ' ' ALA . 1.7 pt-20 34.81 46.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 110.268 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.669 ' HB1' ' HB2' ' A' ' 5' ' ' ASN . . . -79.97 -11.7 59.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.549 HG21 ' CZ ' ' A' ' 22' ' ' PHE . 5.9 mt -87.89 112.14 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.246 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.5 m -117.61 168.8 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -104.68 51.54 0.76 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.548 1.155 . . . . 1.0 109.984 -179.946 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.613 HG13 ' CE1' ' A' ' 22' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.605 ' HB3' HG23 ' A' ' 56' ' ' VAL . 2.2 tt0 -97.57 152.39 19.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.441 1.088 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.801 ' HA ' HD13 ' A' ' 55' ' ' ILE . 2.4 p -125.5 2.84 4.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.198 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 m120 56.29 -172.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -119.44 -32.61 4.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.261 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -58.75 -16.55 17.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -53.21 161.03 0.95 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.128 . . . . 0.0 108.257 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.702 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -102.83 -84.66 0.46 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.702 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 162.45 59.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -72.84 -29.26 63.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 108.26 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.413 ' HG2' ' CE ' ' A' ' 24' ' ' MET . 0.8 OUTLIER 68.22 8.43 6.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.251 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.61 -47.99 61.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.4 p -60.51 -34.78 74.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 108.356 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 22' ' ' PHE . 84.4 t -73.82 -31.29 30.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -75.89 -16.58 60.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.311 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.671 ' CG2' ' HB2' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -97.5 -46.24 12.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.337 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.555 ' SG ' HG23 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -137.65 78.05 38.06 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 108.304 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 2.26 6.86 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.524 1.802 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.09 -8.42 22.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.555 HG23 ' SG ' ' A' ' 18' ' ' CYS . 47.0 t -112.01 -31.67 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.613 ' CE1' HG13 ' A' ' 2' ' ' ILE . 29.0 m-85 -133.23 117.59 17.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.956 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.453 ' CA ' ' OE1' ' A' ' 23' ' ' GLU . 1.5 tp10 -120.65 122.99 41.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 110.315 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.444 ' N ' ' OE1' ' A' ' 23' ' ' GLU . 3.5 mtt -37.74 148.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.594 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 32.3 t30 -60.6 -143.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.594 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 5.3 tt0 -99.84 -14.5 18.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.307 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -114.05 -8.23 13.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.243 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.403 ' HA2' ' HB3' ' A' ' 24' ' ' MET . . . 70.88 38.85 65.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.63 1.77 8.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 0.759 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 25' ' ' ASN . 6.4 ttpt -157.53 124.68 5.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.653 ' O ' HG11 ' A' ' 4' ' ' VAL . . . -79.07 107.52 11.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.414 HG21 ' OD1' ' A' ' 25' ' ' ASN . 57.3 t -84.28 149.54 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.378 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.534 HG13 HD11 ' A' ' 2' ' ' ILE . 21.7 t -80.7 140.75 16.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.534 1.147 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.456 HG13 ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -119.76 -37.92 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.517 ' ND2' ' OG ' ' A' ' 38' ' ' SER . 16.9 t-20 -115.52 86.73 15.66 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.411 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 17.9 Cg_endo -75.07 38.75 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.494 1.786 . . . . 0.0 110.977 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.47 ' H ' ' C ' ' A' ' 35' ' ' ASN . 21.2 t0 174.21 41.37 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.528 ' OG ' HD11 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -82.31 -81.36 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.5 t70 54.86 50.93 14.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.071 . . . . 0.0 109.246 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.602 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -85.37 9.83 14.42 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.587 1.18 . . . . 0.0 109.352 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.602 ' CB ' ' O ' ' A' ' 40' ' ' LEU . 10.4 t70 90.71 2.54 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.362 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.576 ' SG ' HD12 ' A' ' 40' ' ' LEU . 4.1 p -104.56 11.92 33.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.304 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.882 ' O ' HD12 ' A' ' 47' ' ' ILE . 15.7 t -92.25 -27.31 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -79.96 -34.99 38.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.656 ' OE2' HD12 ' A' ' 17' ' ' ILE . 6.2 pt-20 -81.16 -9.5 59.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.671 ' HB2' ' CG2' ' A' ' 17' ' ' ILE . . . -92.11 -22.5 19.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.882 HD12 ' O ' ' A' ' 43' ' ' VAL . 3.6 mt -91.0 -45.19 14.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.37 -43.18 88.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 70.5 m -71.0 -17.89 62.62 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.404 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 15.2 t -86.83 114.02 56.1 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 108.304 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -28.33 9.25 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.479 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -81.91 -6.86 59.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.479 ' C ' ' O ' ' A' ' 52' ' ' ALA . 0.2 OUTLIER 32.98 45.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.87 -11.64 59.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.801 HD13 ' HA ' ' A' ' 4' ' ' VAL . 6.6 mm -87.78 129.86 38.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.605 HG23 ' HB3' ' A' ' 3' ' ' GLU . 2.5 m -138.3 173.24 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.581 1.175 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.442 ' O ' ' OXT' ' A' ' 58' ' ' SER . 9.8 ptm180 -109.05 17.72 21.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.442 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 9.4 t . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 1.0 110.011 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.642 HD11 ' CG1' ' A' ' 33' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -140.69 153.76 46.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.361 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.408 HG22 ' H ' ' A' ' 5' ' ' ASN . 1.2 p -103.04 171.08 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.374 1.046 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.903 ' HB2' ' HB1' ' A' ' 54' ' ' ALA . 11.9 m-20 -114.0 -170.2 1.67 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -105.36 -35.17 7.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.181 . . . . 0.0 109.34 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.21 -18.89 64.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -53.84 145.09 16.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 108.286 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.737 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 8.4 ttt -98.07 -24.09 15.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.737 ' HB3' ' O ' ' A' ' 9' ' ' MET . . . 90.88 65.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.222 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -31.08 64.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 108.326 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 77.37 8.66 2.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.332 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.78 -49.9 48.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.356 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 1.002 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 19.4 p -61.21 -30.72 70.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.095 . . . . 0.0 108.314 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.554 HG11 ' HG3' ' A' ' 24' ' ' MET . 87.7 t -74.43 -38.89 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.78 -24.0 52.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.444 HG21 ' N ' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -86.65 -38.41 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.516 ' SG ' HG23 ' A' ' 21' ' ' VAL . 1.4 t -141.32 73.1 25.88 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 108.358 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HB3' ' O ' ' A' ' 15' ' ' VAL . 18.5 Cg_endo -74.9 4.26 4.84 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.432 1.754 . . . . 0.0 111.065 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -102.73 -8.2 21.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.516 HG23 ' SG ' ' A' ' 18' ' ' CYS . 58.1 t -116.37 -31.76 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.462 ' C ' HD11 ' A' ' 34' ' ' ILE . 36.8 m-85 -133.48 125.43 28.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.422 1.076 . . . . 0.0 111.004 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.445 ' CB ' ' CD1' ' A' ' 34' ' ' ILE . 1.7 tt0 -123.0 130.05 52.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.419 1.075 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.554 ' HG3' HG11 ' A' ' 15' ' ' VAL . 2.9 mtm -38.04 156.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 110.987 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.624 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 26.5 t30 -75.21 -147.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.624 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 5.3 tt0 -68.27 -22.89 64.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 0.0 110.277 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -149.56 15.44 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.29 28.03 68.81 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -87.99 -7.85 56.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 0.756 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 31' ' ' ALA . 6.4 tttm -169.23 89.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' LYS . . . -39.33 121.78 1.21 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.554 HG12 ' N ' ' A' ' 33' ' ' VAL . 43.5 t -97.15 169.83 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.642 ' CG1' HD11 ' A' ' 2' ' ' ILE . 61.4 t -98.17 143.96 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.462 HD11 ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -120.13 -36.33 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.496 ' C ' ' H ' ' A' ' 37' ' ' ASP . 5.1 t-20 -115.69 86.69 16.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.4 1.063 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.556 ' HA ' ' CD1' ' A' ' 2' ' ' ILE . 18.4 Cg_endo -74.98 33.43 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.468 1.773 . . . . 0.0 111.034 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.496 ' H ' ' C ' ' A' ' 35' ' ' ASN . 27.1 t70 171.24 42.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.09 -169.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.041 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.61 30.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.464 HD23 ' N ' ' A' ' 40' ' ' LEU . 2.9 mt -90.94 -167.42 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -125.24 27.89 6.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.579 1.175 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.464 ' HA ' ' HG3' ' A' ' 45' ' ' GLU . 0.8 OUTLIER -106.18 -10.94 16.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 108.31 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 46' ' ' ALA . 59.9 t -72.1 -55.73 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.33 -24.46 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.414 1.071 . . . . 0.0 110.277 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 49' ' ' SER . 0.3 OUTLIER -88.06 -35.11 17.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 1.002 ' HB1' ' HB2' ' A' ' 14' ' ' CYS . . . -64.38 -23.39 67.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -90.64 -51.39 11.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.52 -22.08 66.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.163 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 53.5 m -91.08 -15.63 29.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.009 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 51.8 t -88.63 112.6 51.3 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 108.253 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 49' ' ' SER . 18.2 Cg_endo -75.03 -32.88 4.97 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.485 1.782 . . . . 0.0 110.956 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -85.06 -7.03 59.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 52' ' ' ALA . 2.4 tm-20 35.58 45.73 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.903 ' HB1' ' HB2' ' A' ' 5' ' ' ASN . . . -79.5 -16.07 56.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.844 HD11 ' O ' ' A' ' 46' ' ' ALA . 9.9 pt -88.7 117.08 31.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 m -112.91 162.33 11.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 0.0 109.241 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.932 ' O ' ' OXT' ' A' ' 58' ' ' SER . 58.2 mtm180 -105.16 39.64 1.68 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.932 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 12.0 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 1.0 109.964 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.973 HD11 HG11 ' A' ' 33' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.454 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . 2.3 tp10 -152.37 156.9 40.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.502 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 3.2 p -136.32 -44.64 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.362 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 4' ' ' VAL . 0.5 OUTLIER 82.81 -171.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.85 -12.55 13.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.6 -20.37 65.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.473 ' SG ' ' N ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -56.25 162.38 2.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 108.276 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.686 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 7.2 mtm -98.86 -90.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.051 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 162.27 50.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.403 ' O ' ' CB ' ' A' ' 12' ' ' GLU . 4.3 p -72.71 -40.88 65.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.065 . . . . 0.0 108.302 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 11' ' ' CYS . 41.2 tt0 79.61 16.2 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.24 -50.31 48.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.42 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 22.7 p -62.82 -30.86 71.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 108.334 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 22' ' ' PHE . 40.8 t -73.82 -34.42 40.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.24 -19.4 53.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.547 HD12 ' HG3' ' A' ' 45' ' ' GLU . 0.5 OUTLIER -91.4 -38.51 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 109.327 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.16 78.87 9.34 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.298 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.459 ' HA ' ' O ' ' A' ' 22' ' ' PHE . 18.4 Cg_endo -74.97 4.03 5.08 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.51 1.795 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -98.1 -15.13 20.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.232 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.873 HG21 HD11 ' A' ' 40' ' ' LEU . 47.5 t -113.79 -25.5 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.543 ' O ' HG22 ' A' ' 15' ' ' VAL . 29.4 m-85 -139.59 122.22 16.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.478 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 6.2 tt0 -137.87 145.0 41.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.245 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.428 ' HB3' ' HA2' ' A' ' 28' ' ' GLY . 2.6 mtp -55.25 150.44 11.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 30' ' ' LYS . 12.7 p-10 -67.46 -155.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.74 -53.06 20.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 110.327 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -73.96 -5.28 40.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 110.262 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.457 ' N ' ' OD1' ' A' ' 25' ' ' ASN . . . 61.0 34.1 86.56 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.55 -2.66 8.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 25' ' ' ASN . 4.2 tptm -132.81 121.68 23.33 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.89 100.93 3.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.508 HG12 ' N ' ' A' ' 33' ' ' VAL . 79.3 t -92.11 166.03 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.973 HG11 HD11 ' A' ' 2' ' ' ILE . 60.2 t -97.43 144.33 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -116.09 -31.37 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.479 ' C ' ' H ' ' A' ' 37' ' ' ASP . 3.1 t-20 -117.95 79.09 13.43 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.587 ' HA ' ' CD1' ' A' ' 2' ' ' ILE . 18.4 Cg_endo -74.97 38.39 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.455 1.766 . . . . 0.0 111.04 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.479 ' H ' ' C ' ' A' ' 35' ' ' ASN . 19.1 t0 172.55 43.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.223 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -164.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.473 1.108 . . . . 0.0 110.003 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -171.48 33.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.24 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.873 HD11 HG21 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -113.11 -175.63 2.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 109.347 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 44' ' ' GLU . 10.1 t70 -98.77 -18.06 18.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.746 ' SG ' HD13 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -42.63 -30.58 0.38 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.168 . . . . 0.0 108.294 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.465 HG12 ' CD1' ' A' ' 47' ' ' ILE . 21.4 t -62.33 -51.67 69.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.37 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 41' ' ' ASP . 6.6 mt-10 -55.5 -43.19 75.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.547 ' HG3' HD12 ' A' ' 17' ' ' ILE . 21.7 pt-20 -83.06 0.28 45.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.484 ' HB2' ' O ' ' A' ' 42' ' ' CYS . . . -103.28 -20.0 14.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.523 ' CG1' HG22 ' A' ' 55' ' ' ILE . 1.0 OUTLIER -96.99 -40.09 9.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.54 -31.74 72.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.3 m -82.59 -7.83 59.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.449 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 48.1 t -88.3 112.9 52.65 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.397 1.061 . . . . 0.0 108.31 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -32.68 5.28 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.428 1.751 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -84.97 -7.2 59.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.449 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 1.1 mm-40 34.51 45.86 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.71 -21.9 40.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.085 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.523 HG22 ' CG1' ' A' ' 47' ' ' ILE . 7.1 mt -88.49 139.39 17.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.333 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.454 ' CG2' ' HB3' ' A' ' 3' ' ' GLU . 5.0 m -141.47 -178.33 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.643 ' O ' ' OXT' ' A' ' 58' ' ' SER . 0.8 OUTLIER -118.56 47.5 1.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.323 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.643 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 1.0 110.004 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.412 ' O ' ' OE2' ' A' ' 3' ' ' GLU . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.779 HD11 ' CG1' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -51.17 142.99 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 55' ' ' ILE . 3.3 mt-10 -135.19 142.88 46.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.334 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.771 HG21 ' HB3' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -103.89 15.68 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 60.3 -169.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -112.13 -28.35 8.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.356 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -60.16 -21.47 61.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.354 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.414 ' HB2' ' CB ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -55.78 157.99 3.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 108.348 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.631 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 5.4 mtt -108.64 -84.61 0.54 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.631 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 168.0 59.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.3 t -72.08 -29.82 64.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.143 . . . . 0.0 108.265 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 70.13 14.01 7.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.471 ' HB3' ' S4 ' ' A' ' 59' ' ' F3S . . . -69.02 -49.26 59.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.417 ' O ' HG22 ' A' ' 17' ' ' ILE . 26.8 p -61.9 -31.58 71.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 108.304 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.776 HG22 ' O ' ' A' ' 22' ' ' PHE . 79.5 t -75.44 -30.61 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.31 -10.04 59.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.672 HD12 ' HG3' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -103.06 -43.11 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -148.73 84.35 6.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 108.298 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.412 ' O ' ' CD1' ' A' ' 34' ' ' ILE . 18.2 Cg_endo -75.0 4.0 5.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.478 1.778 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.12 -10.79 22.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.643 HG21 HD11 ' A' ' 40' ' ' LEU . 49.4 t -114.03 -34.1 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.776 ' O ' HG22 ' A' ' 15' ' ' VAL . 30.4 m-85 -136.34 121.08 18.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.485 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 4.8 tt0 -129.63 158.33 39.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.48 ' N ' ' CG ' ' A' ' 23' ' ' GLU . 0.4 OUTLIER -62.26 146.71 50.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.967 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.537 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 23.0 t30 -60.89 -144.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.537 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -81.52 -24.59 36.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.27 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -133.84 5.92 3.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.55 22.05 79.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -80.5 -4.77 55.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -167.85 148.6 5.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.771 ' HB3' HG21 ' A' ' 4' ' ' VAL . . . -77.27 111.67 13.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 23' ' ' GLU . 0.4 OUTLIER -93.79 145.72 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.779 ' CG1' HD11 ' A' ' 2' ' ' ILE . 35.4 t -85.58 145.76 7.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.485 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -120.68 -33.54 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.495 ' C ' ' H ' ' A' ' 37' ' ' ASP . 2.9 t-20 -116.73 80.81 11.08 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.536 ' HA ' ' CD1' ' A' ' 2' ' ' ILE . 18.2 Cg_endo -75.0 35.09 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.461 1.769 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.495 ' H ' ' C ' ' A' ' 35' ' ' ASN . 48.0 t0 175.23 42.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.421 ' OG ' HD11 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -58.93 -162.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.038 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -170.59 32.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.976 HD13 ' HB2' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -123.65 169.13 11.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 44' ' ' GLU . 21.0 t70 -81.96 -1.73 49.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.976 ' HB2' HD13 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -52.45 -29.05 22.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 108.292 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.789 ' O ' HD12 ' A' ' 47' ' ' ILE . 25.6 t -69.91 -30.25 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.9 mt-10 -74.34 -39.85 62.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.672 ' HG3' HD12 ' A' ' 17' ' ' ILE . 12.0 pt-20 -84.39 -27.6 27.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.256 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 42' ' ' CYS . . . -73.82 -23.41 59.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.789 HD12 ' O ' ' A' ' 43' ' ' VAL . 5.6 mt -90.52 -50.84 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -57.18 -51.78 67.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.1 m -61.15 -17.27 52.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.986 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 15.9 t -88.09 113.61 55.69 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 108.29 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.55 9.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.439 1.758 . . . . 0.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -81.26 -7.92 59.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 52' ' ' ALA . 1.7 tt0 36.19 45.41 0.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.591 ' HB1' ' O ' ' A' ' 4' ' ' VAL . . . -82.72 -12.31 57.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.641 HD13 HG12 ' A' ' 4' ' ' VAL . 2.5 mm -86.86 129.12 38.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -145.52 153.24 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.805 ' O ' ' OXT' ' A' ' 58' ' ' SER . 65.8 mtm-85 -87.74 43.22 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.805 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 2.4 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 1.0 109.991 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' F3S . . . . . 0.548 ' S2 ' ' HB2' ' A' ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.802 ' HB2' HD13 ' A' ' 2' ' ' ILE . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 111.0 -0.423 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.931 HD11 ' O ' ' A' ' 35' ' ' ASN . 0.1 OUTLIER -137.94 108.69 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.71 150.8 39.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.279 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.519 HG11 ' O ' ' A' ' 31' ' ' ALA . 2.8 p -114.83 140.19 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.57 ' HB2' ' HB1' ' A' ' 54' ' ' ALA . 6.4 m-20 -78.81 -172.22 2.92 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -104.75 -14.82 15.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -28.52 69.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.6 t -55.06 145.84 19.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 108.273 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.628 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 4.3 mmt -98.5 -68.06 0.82 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 167.78 48.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.378 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 78.6 m -73.15 -37.79 66.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 108.352 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 58.66 25.17 12.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.174 . . . . 0.0 110.343 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.68 -49.11 61.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.932 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 1.7 m -63.12 -29.62 70.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 108.287 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.535 HG22 ' CB ' ' A' ' 22' ' ' PHE . 79.4 t -74.86 -32.81 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.91 -16.47 59.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.489 HD12 ' OE2' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -103.43 -31.3 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.352 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.535 ' SG ' ' CG2' ' A' ' 21' ' ' VAL . 5.3 t -144.52 72.95 15.69 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 108.279 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 4.31 4.86 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.498 1.789 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.83 -11.39 18.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.378 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.535 ' CG2' ' SG ' ' A' ' 18' ' ' CYS . 69.6 t -115.52 -20.83 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.535 ' CB ' HG22 ' A' ' 15' ' ' VAL . 34.4 m-85 -139.0 134.82 33.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 110.963 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -149.92 136.22 18.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.423 ' HB3' ' HA2' ' A' ' 28' ' ' GLY . 0.9 OUTLIER -51.79 145.92 8.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 28' ' ' GLY . 11.6 p-10 -61.18 -155.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -70.27 -53.86 15.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.427 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 1.9 mm-40 -71.04 -14.04 62.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.342 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.487 ' N ' ' OD1' ' A' ' 25' ' ' ASN . . . 67.27 40.05 92.1 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.587 1.179 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.97 -12.23 12.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 0.776 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -136.65 137.64 40.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.519 ' O ' HG11 ' A' ' 4' ' ' VAL . . . -84.77 96.22 9.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.249 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.4 t -83.21 146.08 7.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.571 HG21 ' O ' ' A' ' 2' ' ' ILE . 74.0 t -77.48 137.02 23.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.476 HG13 ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -110.28 -32.44 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.208 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.931 ' O ' HD11 ' A' ' 2' ' ' ILE . 11.3 t-20 -113.04 92.18 20.62 Favored Pre-proline 0 C--N 1.323 -0.548 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.464 ' O ' ' CG ' ' A' ' 1' ' ' PRO . 18.2 Cg_endo -74.93 32.84 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.41 1.742 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.507 ' H ' ' C ' ' A' ' 35' ' ' ASN . 28.6 t70 177.26 40.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.724 ' OG ' HD12 ' A' ' 40' ' ' LEU . 12.5 t -31.42 -69.37 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.01 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.406 ' CB ' ' O ' ' A' ' 38' ' ' SER . 9.0 t70 75.74 9.63 3.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.724 HD12 ' OG ' ' A' ' 38' ' ' SER . 0.7 OUTLIER -85.99 -144.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 41' ' ' ASP . 8.9 t70 -140.37 13.38 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.6 p -95.81 -10.64 28.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 108.235 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.558 ' O ' HD12 ' A' ' 47' ' ' ILE . 71.3 t -69.43 -35.47 67.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.34 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.51 -41.35 96.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.489 ' OE2' HD12 ' A' ' 17' ' ' ILE . 18.6 pt-20 -81.34 -8.37 59.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.253 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.932 ' HB1' ' HB3' ' A' ' 14' ' ' CYS . . . -95.42 -13.44 24.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.558 HD12 ' O ' ' A' ' 43' ' ' VAL . 3.6 mt -105.39 -47.72 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.226 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.33 -43.22 96.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.1 m -71.67 -9.05 57.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 110.006 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.509 ' SG ' ' CD1' ' A' ' 55' ' ' ILE . 49.3 t -87.4 113.99 56.64 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.315 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -32.03 5.79 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -88.93 -8.69 53.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 109.347 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 52' ' ' ALA . 41.0 mt-10 37.73 50.56 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.57 ' HB1' ' HB2' ' A' ' 5' ' ' ASN . . . -77.45 -10.7 59.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.735 HD11 ' S3 ' ' A' ' 59' ' ' F3S . 3.8 mp -87.02 110.52 20.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.1 m -113.83 165.65 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.461 ' O ' ' OXT' ' A' ' 58' ' ' SER . 0.1 OUTLIER -90.31 35.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.461 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 1.0 110.003 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' F3S . . . . . 0.735 ' S3 ' HD11 ' A' ' 55' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.418 ' HG3' ' O ' ' A' ' 36' ' ' PRO . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.908 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 1.004 HD11 HG11 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -130.74 158.45 43.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.441 ' O ' ' HA ' ' A' ' 55' ' ' ILE . 10.9 tt0 -148.92 141.85 24.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.264 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.439 HG23 ' S3 ' ' A' ' 59' ' ' F3S . 7.4 p -107.61 -23.8 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 4' ' ' VAL . 76.4 m-20 63.97 -171.12 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -107.63 -6.05 17.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -67.28 -39.65 86.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.469 ' SG ' ' N ' ' A' ' 9' ' ' MET . 0.8 OUTLIER -47.98 162.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 108.291 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.622 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 1.0 OUTLIER -103.01 -77.36 0.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 111.012 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.622 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 168.8 41.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 m -66.51 -37.33 84.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 108.329 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.41 ' CD ' ' CG ' ' A' ' 24' ' ' MET . 1.3 mt-10 58.85 17.93 5.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.358 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.68 -47.38 72.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.63 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 1.2 m -61.91 -31.51 71.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 108.303 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.706 HG22 ' HB2' ' A' ' 22' ' ' PHE . 66.6 t -75.7 -29.82 20.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.77 9.98 3.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 110.262 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.721 HD11 ' OE1' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -133.95 -43.66 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.579 1.174 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.4 t -125.29 74.14 67.7 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 108.291 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD3' ' C ' ' A' ' 17' ' ' ILE . 18.4 Cg_endo -75.05 2.1 7.03 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.569 1.826 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -101.17 -11.92 19.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.241 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.587 HG12 ' CE1' ' A' ' 22' ' ' PHE . 62.8 t -112.35 -26.44 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.706 ' HB2' HG22 ' A' ' 15' ' ' VAL . 25.0 m-85 -139.05 133.84 32.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -141.19 136.87 32.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.322 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.423 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -40.92 153.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 111.042 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.612 ' OD1' ' N ' ' A' ' 28' ' ' GLY . 20.0 p-10 -91.48 -150.85 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.518 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 2.4 tt0 -43.44 -36.11 1.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.265 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.453 ' CG ' ' C ' ' A' ' 26' ' ' GLU . 4.3 mt-10 -154.56 31.07 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.612 ' N ' ' OD1' ' A' ' 25' ' ' ASN . . . 69.08 11.14 63.22 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -58.04 -17.18 16.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 109.296 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.7 pttt -167.33 109.2 0.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.75 104.62 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.568 HG12 ' N ' ' A' ' 33' ' ' VAL . 53.2 t -76.08 169.96 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.004 HG11 HD11 ' A' ' 2' ' ' ILE . 59.6 t -105.24 141.98 19.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.463 HG13 ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -118.72 -31.01 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.475 ' C ' ' H ' ' A' ' 37' ' ' ASP . 21.2 t-20 -115.51 82.29 9.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.599 ' HA ' ' CD1' ' A' ' 2' ' ' ILE . 18.2 Cg_endo -74.94 37.58 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.515 1.797 . . . . 0.0 110.968 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.475 ' H ' ' C ' ' A' ' 35' ' ' ASN . 34.6 t0 179.17 40.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.366 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.464 ' CB ' HG22 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -83.43 -76.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.963 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 t0 40.25 46.38 1.93 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 1.157 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.697 ' O ' HD12 ' A' ' 40' ' ' LEU . 2.5 pp -108.97 44.16 1.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 44' ' ' GLU . 18.0 t0 79.49 -51.35 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.9 t -43.33 -30.39 0.51 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 108.237 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.429 ' N ' ' C ' ' A' ' 41' ' ' ASP . 2.5 t -76.47 -46.4 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 41' ' ' ASP . 8.3 mt-10 -56.86 -32.92 66.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.356 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.721 ' OE1' HD11 ' A' ' 17' ' ' ILE . 9.4 pt-20 -89.24 -4.59 58.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.335 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.63 ' HB1' ' HB3' ' A' ' 14' ' ' CYS . . . -100.73 -15.8 17.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.471 ' CG1' ' CG2' ' A' ' 55' ' ' ILE . 6.0 mt -99.43 -36.07 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -65.34 -19.64 66.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.44 ' O ' ' HD3' ' A' ' 51' ' ' PRO . 48.7 m -99.73 -1.03 38.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 110.053 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 53.8 t -88.68 111.64 45.43 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.455 1.097 . . . . 0.0 108.328 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' A' ' 49' ' ' SER . 18.3 Cg_endo -75.01 -32.51 5.3 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.468 1.772 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -85.82 -6.68 59.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.24 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.45 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 4.0 tt0 38.22 38.45 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.85 -9.74 58.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.471 ' CG2' ' CG1' ' A' ' 47' ' ' ILE . 1.0 OUTLIER -85.46 119.7 34.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.61 1.194 . . . . 0.0 109.332 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.421 HG23 ' HB3' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -128.49 162.03 36.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 1' ' ' PRO . 0.1 OUTLIER -95.87 48.87 1.14 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 1.0 109.981 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' F3S . . . . . 0.462 ' S3 ' ' CG1' ' A' ' 55' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 1.113 ' HA ' ' OXT' ' A' ' 58' ' ' SER . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.917 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.791 HD13 ' HA ' ' A' ' 37' ' ' ASP . 2.0 mp -81.08 73.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.627 ' HA ' HG21 ' A' ' 33' ' ' VAL . 11.3 mt-10 -135.31 -156.13 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.711 HG11 ' S3 ' ' A' ' 59' ' ' F3S . 0.4 OUTLIER -127.36 -104.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.478 ' N ' ' OD1' ' A' ' 5' ' ' ASN . 0.2 OUTLIER 178.01 -171.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -93.56 3.51 55.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.338 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.9 -41.72 11.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.597 1.186 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -45.38 162.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 108.242 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.652 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -106.69 -86.35 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.652 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 166.5 61.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.392 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 12' ' ' GLU . 1.8 t -72.22 -30.09 64.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 108.275 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.497 ' OE2' ' CG ' ' A' ' 24' ' ' MET . 1.2 tt0 73.14 10.68 5.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 110.284 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.515 ' HB3' ' S4 ' ' A' ' 59' ' ' F3S . . . -70.09 -49.39 51.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.627 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 20.3 p -56.6 -42.15 78.24 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 0.0 108.244 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.765 HG22 ' O ' ' A' ' 22' ' ' PHE . 51.2 t -71.45 -30.39 39.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -85.0 41.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.323 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -170.37 -40.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.495 ' SG ' ' CG2' ' A' ' 21' ' ' VAL . 1.7 t -132.7 68.03 78.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 108.234 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 0.81 8.48 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.405 1.739 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.35 -0.43 43.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.529 HG21 HG23 ' A' ' 43' ' ' VAL . 44.3 t -124.5 -38.82 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.765 ' O ' HG22 ' A' ' 15' ' ' VAL . 18.6 m-85 -130.19 121.62 26.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 111.071 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 24' ' ' MET . 4.7 tt0 -126.44 143.47 51.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.497 ' CG ' ' OE2' ' A' ' 12' ' ' GLU . 1.4 mtp -40.43 163.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.663 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 28.9 t30 -84.69 -149.18 0.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.663 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 3.9 tt0 -66.7 -22.44 66.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.417 ' CG ' ' C ' ' A' ' 26' ' ' GLU . 3.0 mt-10 -152.17 19.14 0.66 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.403 ' HA2' ' HB3' ' A' ' 24' ' ' MET . . . 77.51 12.86 84.13 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.488 1.118 . . . . 0.0 111.018 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -62.82 -14.95 51.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.763 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -167.83 161.0 12.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.06 104.83 17.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.498 ' CG2' ' OD1' ' A' ' 25' ' ' ASN . 78.2 t -77.86 154.34 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.627 HG21 ' HA ' ' A' ' 3' ' ' GLU . 68.8 t -102.84 132.51 48.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.122 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.93 -35.06 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.509 ' C ' ' H ' ' A' ' 37' ' ' ASP . 5.5 t-20 -114.71 91.18 24.55 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 26.25 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.801 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.791 ' HA ' HD13 ' A' ' 2' ' ' ILE . 16.5 t0 178.41 39.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.615 ' HB3' HG21 ' A' ' 43' ' ' VAL . 8.5 t -36.49 -72.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.047 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER 79.72 1.94 2.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 109.371 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.532 HD12 ' OG ' ' A' ' 38' ' ' SER . 14.2 mt -66.87 -141.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -134.28 10.48 3.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.9 p -102.16 -22.66 14.16 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.528 1.143 . . . . 0.0 108.313 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.615 HG21 ' HB3' ' A' ' 38' ' ' SER . 2.7 t -59.81 -42.3 88.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -66.27 -16.73 64.26 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.561 1.163 . . . . 0.0 110.306 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 49' ' ' SER . 3.6 mm-40 -86.82 -33.96 19.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.285 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.627 ' HB1' ' HB2' ' A' ' 14' ' ' CYS . . . -65.81 -25.15 67.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.3 mt -88.37 -54.63 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.02 -20.18 56.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.47 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 67.8 m -94.79 -23.83 17.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.031 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.5 t -88.59 113.45 55.62 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.094 . . . . 0.0 108.223 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -23.42 13.86 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.529 1.805 . . . . 0.0 110.971 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.37 -11.12 57.97 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 38.43 37.02 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.35 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.475 ' O ' ' HA ' ' A' ' 4' ' ' VAL . . . -77.27 -10.93 59.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.488 HG12 ' CG1' ' A' ' 4' ' ' VAL . 3.7 mt -83.74 119.77 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.9 m -123.01 151.99 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' SER . 13.4 ptt-85 -100.82 40.48 1.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.17 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 1.113 ' OXT' ' HA ' ' A' ' 1' ' ' PRO . 41.5 t . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 1.0 109.957 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' F3S . . . . . 0.711 ' S3 ' HG11 ' A' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.446 ' HG3' ' O ' ' A' ' 36' ' ' PRO . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.924 0 N-CA-C 111.033 -0.41 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.882 HD11 HG11 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -78.85 134.62 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.699 ' O ' HD12 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -129.42 152.93 48.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.728 HG11 ' O ' ' A' ' 31' ' ' ALA . 13.9 p -108.88 -2.41 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.1 m120 62.12 -169.71 0.17 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -119.01 -42.89 2.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.83 -28.7 2.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.411 1.07 . . . . 0.0 109.256 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.457 ' SG ' ' N ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -53.26 161.0 0.99 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.492 1.12 . . . . 0.0 108.232 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.691 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 18.5 ttm -100.45 -85.05 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 111.065 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.691 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 163.06 51.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.28 -29.85 64.28 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.571 1.169 . . . . 0.0 108.276 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 70.31 24.86 4.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.477 ' HB3' ' S4 ' ' A' ' 59' ' ' F3S . . . -69.65 -50.78 40.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.48 ' O ' HG22 ' A' ' 17' ' ' ILE . 25.3 p -63.28 -30.39 71.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 108.366 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 22' ' ' PHE . 90.8 t -74.6 -30.05 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -78.58 -17.81 55.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.619 HD12 ' HG3' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -95.44 -43.05 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 109.309 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.4 ' SG ' HG23 ' A' ' 21' ' ' VAL . 1.8 t -139.4 77.69 28.83 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 108.25 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 3.54 5.49 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.588 1.836 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.63 -13.29 19.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.42 ' C ' HG13 ' A' ' 34' ' ' ILE . 94.4 t -112.92 -27.39 2.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.605 ' O ' HG13 ' A' ' 15' ' ' VAL . 29.9 m-85 -136.48 117.74 14.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.471 ' CG ' ' N ' ' A' ' 24' ' ' MET . 3.9 tt0 -124.13 157.85 33.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 110.227 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.494 ' HB3' ' CA ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -58.51 145.87 37.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.673 ' HB3' HG23 ' A' ' 32' ' ' VAL . 9.5 p-10 -79.03 -150.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.36 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.43 ' N ' ' CG ' ' A' ' 25' ' ' ASN . 3.0 tt0 -55.35 -48.73 73.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -121.04 20.99 11.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.565 ' N ' ' OD1' ' A' ' 25' ' ' ASN . . . 55.19 20.19 20.13 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.628 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 1.5 t70 -76.43 -7.63 55.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 0.801 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -159.43 120.56 3.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.728 ' O ' HG11 ' A' ' 4' ' ' VAL . . . -57.41 109.27 0.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.673 HG23 ' HB3' ' A' ' 25' ' ' ASN . 3.1 t -86.24 155.63 3.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 109.342 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.882 HG11 HD11 ' A' ' 2' ' ' ILE . 46.3 t -93.24 137.79 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.42 HG13 ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -113.01 -30.69 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.413 1.07 . . . . 0.0 109.334 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.484 ' C ' ' H ' ' A' ' 37' ' ' ASP . 5.9 t-20 -115.94 81.76 10.2 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.57 ' HA ' ' CD1' ' A' ' 2' ' ' ILE . 18.2 Cg_endo -75.05 37.36 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.479 1.778 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.484 ' H ' ' C ' ' A' ' 35' ' ' ASN . 36.1 t70 174.06 44.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.43 -163.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 109.946 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -171.47 32.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 1.154 . . . . 0.0 109.255 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.547 ' CD1' HG23 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -115.61 -171.01 1.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 44' ' ' GLU . 13.3 t70 -104.51 -11.2 17.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.229 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -51.8 -29.01 17.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 108.298 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.547 HG23 ' CD1' ' A' ' 40' ' ' LEU . 80.4 t -67.35 -27.73 39.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' ASP . 1.7 tt0 -77.16 -42.96 35.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.33 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.619 ' HG3' HD12 ' A' ' 17' ' ' ILE . 3.5 pt-20 -82.24 -16.04 50.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 42' ' ' CYS . . . -86.62 -14.35 42.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.789 HG13 HG23 ' A' ' 55' ' ' ILE . 0.5 OUTLIER -102.48 -46.04 10.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.243 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.61 -29.47 70.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.37 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.0 m -81.82 -9.24 59.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.024 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.512 ' SG ' HG22 ' A' ' 55' ' ' ILE . 29.0 t -88.36 113.08 53.73 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.431 1.082 . . . . 0.0 108.254 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -31.93 5.73 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.48 1.779 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.39 -6.49 58.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.452 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 2.6 tp10 38.9 34.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.33 -18.59 57.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.393 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.789 HG23 HG13 ' A' ' 47' ' ' ILE . 1.0 OUTLIER -88.68 120.27 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.379 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -125.13 -178.96 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.914 ' O ' ' OXT' ' A' ' 58' ' ' SER . 9.4 mtt180 -121.83 43.22 2.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.414 1.071 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.914 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 18.9 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 1.0 109.968 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' F3S . . . . . 0.477 ' S4 ' ' HB3' ' A' ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.493 ' HB3' ' CB ' ' A' ' 36' ' ' PRO . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.918 0 N-CA-C 111.012 -0.418 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.614 ' H ' HD13 ' A' ' 2' ' ' ILE . 0.0 OUTLIER -55.68 -172.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.619 ' HB3' HG23 ' A' ' 56' ' ' VAL . 4.9 tt0 -134.43 148.06 50.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.617 ' O ' HG22 ' A' ' 4' ' ' VAL . 2.7 p -134.31 9.96 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.564 ' HB2' ' HB1' ' A' ' 54' ' ' ALA . 24.9 m-20 46.02 -170.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -119.85 -30.42 4.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.416 1.073 . . . . 0.0 109.349 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.02 -19.12 40.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.429 ' SG ' ' N ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -55.68 159.69 2.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 108.315 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.533 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 1.3 mtp -108.11 -92.68 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.533 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 173.59 41.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.7 t -61.75 -29.84 70.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 108.319 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 71.71 26.29 3.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.86 ' HB3' ' S4 ' ' A' ' 59' ' ' F3S . . . -70.15 -48.92 55.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.53 ' O ' HG22 ' A' ' 17' ' ' ILE . 10.6 p -62.28 -34.49 76.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 108.298 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.469 HG13 ' HA ' ' A' ' 23' ' ' GLU . 25.3 t -74.64 -29.29 23.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -86.3 27.51 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 110.345 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.81 HD13 ' O ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -148.41 -46.55 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.241 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.56 ' SG ' HG23 ' A' ' 21' ' ' VAL . 3.9 t -135.51 83.5 36.82 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 108.237 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.513 ' O ' ' CD1' ' A' ' 34' ' ' ILE . 18.6 Cg_endo -74.98 7.9 2.65 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.538 1.809 . . . . 0.0 111.023 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -108.75 -7.62 15.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.711 HG12 ' CZ ' ' A' ' 22' ' ' PHE . 71.9 t -116.43 -34.72 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.711 ' CZ ' HG12 ' A' ' 21' ' ' VAL . 17.9 m-85 -141.35 125.51 17.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 111.054 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 1.007 ' O ' HG12 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -147.4 141.73 26.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.077 . . . . 0.0 110.328 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.449 ' C ' ' O ' ' A' ' 23' ' ' GLU . 2.0 mtm -33.94 142.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 30' ' ' LYS . 11.8 p-10 -70.64 -156.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.259 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -52.1 53.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.266 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.442 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 2.3 mm-40 -80.34 -3.4 49.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.473 ' N ' ' OD1' ' A' ' 25' ' ' ASN . . . 60.46 32.15 76.71 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.524 1.14 . . . . 0.0 111.059 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 1.1 t0 -112.37 -10.65 13.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.761 . . . . 0.0 109.387 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 25' ' ' ASN . 10.2 mtmm -137.4 128.46 27.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.61 95.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.007 HG12 ' O ' ' A' ' 23' ' ' GLU . 3.5 p -76.1 160.7 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.609 ' CG1' HD11 ' A' ' 2' ' ' ILE . 79.8 t -96.21 137.09 25.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.513 ' CD1' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -111.46 -26.79 3.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.431 1.082 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.589 ' O ' HD11 ' A' ' 2' ' ' ILE . 16.8 t-20 -113.14 89.35 13.97 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.493 ' CB ' ' HB3' ' A' ' 1' ' ' PRO . 18.3 Cg_endo -74.99 28.56 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.435 1.755 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.508 ' H ' ' C ' ' A' ' 35' ' ' ASN . 33.1 t70 -172.73 34.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.1 t -50.75 -95.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.991 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 57.52 22.24 7.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.559 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 2.7 pp -94.85 22.24 6.66 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 40' ' ' LEU . 4.8 t70 87.11 -37.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.507 ' HA ' ' CG ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -41.66 -35.9 0.85 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.09 . . . . 0.0 108.282 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.993 HG12 ' CD1' ' A' ' 47' ' ' ILE . 2.2 t -68.96 -48.34 70.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.357 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -57.71 -28.18 63.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.69 ' OE1' HD11 ' A' ' 17' ' ' ILE . 12.1 pt-20 -98.04 -14.7 20.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.348 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 42' ' ' CYS . . . -93.06 -22.33 19.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.993 ' CD1' HG12 ' A' ' 43' ' ' VAL . 20.2 mt -87.88 -40.82 13.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.09 -26.4 68.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.401 ' O ' ' HD3' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -86.98 -15.32 39.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.079 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 34.9 t -84.92 113.31 49.06 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 108.323 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 49' ' ' SER . 18.3 Cg_endo -74.97 -32.54 5.34 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.528 1.804 . . . . 0.0 111.061 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -81.4 -6.78 59.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 52' ' ' ALA . 3.2 pt-20 34.17 45.76 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.327 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.564 ' HB1' ' HB2' ' A' ' 5' ' ' ASN . . . -84.65 -20.52 31.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.228 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.703 HG23 ' S3 ' ' A' ' 59' ' ' F3S . 3.0 pt -91.82 129.98 41.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.619 HG23 ' HB3' ' A' ' 3' ' ' GLU . 3.2 m -143.2 -175.28 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 58' ' ' SER . 7.0 ptm180 -125.19 43.96 2.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.33 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 57' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 1.0 110.035 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' F3S . . . . . 0.86 ' S4 ' ' HB3' ' A' ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.522 ' CG ' ' O ' ' A' ' 36' ' ' PRO . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.951 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.792 HD11 ' CG1' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -117.07 121.48 67.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.469 ' CG ' ' C ' ' A' ' 2' ' ' ILE . 0.2 OUTLIER -159.96 -179.45 7.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.879 HG12 ' HA ' ' A' ' 55' ' ' ILE . 33.7 m -130.86 -162.59 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.94 -159.19 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -100.66 11.54 39.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.04 -34.44 12.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -51.33 157.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 108.32 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.58 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 7.9 mtt -102.88 -93.52 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 170.98 41.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.43 1.082 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.87 -28.97 67.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 108.293 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 69.91 30.91 3.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 0.0 110.259 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.69 ' HB3' ' S4 ' ' A' ' 59' ' ' F3S . . . -69.33 -48.29 61.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.515 ' O ' HG22 ' A' ' 17' ' ' ILE . 10.2 p -62.16 -33.94 75.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 108.354 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.565 HG22 ' C ' ' A' ' 22' ' ' PHE . 75.9 t -74.12 -29.6 25.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -83.93 38.39 0.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.786 HD13 ' O ' ' A' ' 17' ' ' ILE . 0.1 OUTLIER -165.88 -42.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.1 t -135.18 71.85 67.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.616 1.197 . . . . 0.0 108.214 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.449 ' HA ' ' O ' ' A' ' 22' ' ' PHE . 18.4 Cg_endo -74.96 2.66 6.36 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.526 1.803 . . . . 0.0 111.019 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.52 -9.67 29.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.96 HG21 HD11 ' A' ' 40' ' ' LEU . 85.6 t -119.79 -34.3 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 1.0 ' CE1' HD11 ' A' ' 55' ' ' ILE . 24.5 m-85 -132.55 125.3 30.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.806 ' O ' HG12 ' A' ' 32' ' ' VAL . 9.4 tp10 -137.62 150.56 47.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.426 ' O ' ' O ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -51.43 150.54 3.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.969 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.56 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 28.4 t30 -60.83 -143.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.56 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -85.82 -22.0 27.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.233 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -140.35 11.7 2.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 1.081 . . . . 0.0 110.291 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.93 13.65 83.43 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.485 1.116 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.28 -15.31 15.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 0.75 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -179.28 159.36 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.59 114.33 17.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.377 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.806 HG12 ' O ' ' A' ' 23' ' ' GLU . 7.2 p -97.86 162.98 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.792 ' CG1' HD11 ' A' ' 2' ' ' ILE . 52.5 t -94.51 146.4 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.245 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.513 ' CD1' ' CB ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -119.65 -35.35 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.475 ' C ' ' H ' ' A' ' 37' ' ' ASP . 3.3 t-20 -117.41 79.72 12.11 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.409 1.068 . . . . 0.0 109.389 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.562 ' HA ' ' CD1' ' A' ' 2' ' ' ILE . 18.1 Cg_endo -75.04 39.09 0.57 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.485 1.781 . . . . 0.0 110.955 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.475 ' H ' ' C ' ' A' ' 35' ' ' ASN . 52.2 t0 170.79 42.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.77 -165.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -171.79 33.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.96 HD11 HG21 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -94.19 -168.61 1.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.589 1.181 . . . . 0.0 109.262 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -115.11 1.7 13.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.253 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.932 ' SG ' HD22 ' A' ' 40' ' ' LEU . 5.5 p -88.93 12.29 15.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 108.355 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.86 HG23 ' CD1' ' A' ' 40' ' ' LEU . 3.9 t -90.6 -34.42 6.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.4 -38.07 63.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 0.0 110.337 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -81.91 -13.2 57.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.572 ' HB2' ' O ' ' A' ' 42' ' ' CYS . . . -89.19 -20.27 24.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.701 HG13 HG23 ' A' ' 55' ' ' ILE . 1.2 mp -96.56 -41.37 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.35 -31.71 72.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.3 m -74.9 -9.42 58.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.962 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.459 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 40.7 t -86.65 113.2 51.72 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 108.377 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -32.21 5.49 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.791 . . . . 0.0 110.938 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -84.79 -6.34 59.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.459 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 5.2 pt-20 37.73 35.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' A' ' 4' ' ' VAL . . . -77.69 -17.83 57.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 1.0 HD11 ' CE1' ' A' ' 22' ' ' PHE . 5.7 tt -87.9 104.62 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.6 m -104.99 154.89 6.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.953 ' O ' ' OXT' ' A' ' 58' ' ' SER . 83.8 mtm180 -104.99 48.13 0.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.953 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 1.0 110.033 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' F3S . . . . . 0.69 ' S4 ' ' HB3' ' A' ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.479 ' HB3' ' CB ' ' A' ' 36' ' ' PRO . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.929 0 N-CA-C 110.997 -0.424 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.663 HD11 ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -55.46 -176.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.741 ' HB3' HG23 ' A' ' 56' ' ' VAL . 22.9 tp10 -135.64 149.91 49.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.595 1.184 . . . . 0.0 110.352 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.6 p -158.77 97.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.9 ' OD1' ' HB1' ' A' ' 54' ' ' ALA . 0.9 OUTLIER -53.83 -172.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.434 ' C ' ' N ' ' A' ' 8' ' ' CYS . 0.0 OUTLIER -102.66 -32.99 9.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 6' ' ' ASP . 48.5 m-20 -39.07 -31.63 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.472 ' HB2' ' CB ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -52.45 156.58 1.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 108.269 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.653 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -104.81 -82.94 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 111.04 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.653 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 166.83 62.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.414 1.072 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.6 t -70.2 -40.24 74.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 108.343 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 78.49 6.94 2.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.175 . . . . 0.0 110.265 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.17 -48.93 60.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.481 ' O ' HG22 ' A' ' 17' ' ' ILE . 31.5 p -61.64 -31.83 71.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 108.263 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.528 HG13 ' O ' ' A' ' 22' ' ' PHE . 82.2 t -75.83 -30.96 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.69 -7.64 59.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 110.268 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.614 HD13 ' O ' ' A' ' 17' ' ' ILE . 0.3 OUTLIER -110.34 -28.66 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.503 ' SG ' HG23 ' A' ' 21' ' ' VAL . 2.0 t -151.1 75.26 8.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 108.282 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.484 ' O ' ' CD1' ' A' ' 34' ' ' ILE . 18.5 Cg_endo -75.01 5.79 3.78 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 0.7 OUTLIER -104.13 -13.79 16.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.592 1.182 . . . . 0.0 109.26 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.794 HG21 HD11 ' A' ' 40' ' ' LEU . 93.3 t -112.95 -24.72 3.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.763 ' CE1' HG12 ' A' ' 21' ' ' VAL . 9.6 m-85 -145.69 122.8 11.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 24' ' ' MET . 9.1 tt0 -134.0 134.04 42.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.415 1.072 . . . . 0.0 110.326 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -35.32 151.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 111.043 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.576 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 29.7 t30 -63.64 -143.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.576 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -83.59 -21.63 32.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 110.291 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -144.62 15.38 1.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.243 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.35 13.46 76.44 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.0 -20.63 54.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 0.778 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -178.1 162.45 1.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.251 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.55 106.06 17.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 109.38 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.491 ' CG2' ' OD1' ' A' ' 25' ' ' ASN . 87.0 t -81.28 152.8 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.663 ' CG1' HD11 ' A' ' 2' ' ' ILE . 86.4 t -88.39 135.95 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -113.03 -28.96 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.56 ' O ' ' CD1' ' A' ' 2' ' ' ILE . 13.4 t-20 -112.84 90.26 15.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 0.0 109.366 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.479 ' CB ' ' HB3' ' A' ' 1' ' ' PRO . 18.5 Cg_endo -74.91 25.92 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.781 . . . . 0.0 111.076 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.508 ' O ' ' C ' ' A' ' 38' ' ' SER . 28.8 t70 -174.11 38.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.534 ' OG ' ' N ' ' A' ' 39' ' ' ASP . 0.2 OUTLIER -31.03 -87.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.596 1.185 . . . . 0.0 110.031 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.534 ' N ' ' OG ' ' A' ' 38' ' ' SER . 2.2 t0 81.61 24.87 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.852 HD13 ' HB3' ' A' ' 42' ' ' CYS . 0.4 OUTLIER -119.08 177.7 4.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -94.58 49.14 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.852 ' HB3' HD13 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -115.59 -25.73 7.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 108.279 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.474 HG12 ' CD1' ' A' ' 47' ' ' ILE . 1.9 t -73.52 -33.47 39.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.29 -33.17 69.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.251 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.599 ' HG3' HD12 ' A' ' 17' ' ' ILE . 14.5 pt-20 -91.33 -21.23 21.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.514 ' HA ' HG21 ' A' ' 17' ' ' ILE . . . -82.52 -27.73 31.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 109.359 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.474 ' CD1' HG12 ' A' ' 43' ' ' VAL . 28.6 mt -82.75 -48.63 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.23 -38.1 76.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.227 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.5 m -75.01 -21.96 58.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.97 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 19.0 t -88.03 113.73 56.16 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 108.29 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -30.42 7.13 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.468 1.773 . . . . 0.0 111.037 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.485 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -81.39 -6.78 59.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 52' ' ' ALA . 3.9 pm0 31.84 48.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.266 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.9 ' HB1' ' OD1' ' A' ' 5' ' ' ASN . . . -78.1 -23.09 48.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.42 HD12 HG13 ' A' ' 47' ' ' ILE . 6.2 pt -92.02 129.29 42.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.741 HG23 ' HB3' ' A' ' 3' ' ' GLU . 6.3 m -138.74 162.04 29.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 58' ' ' SER . 0.5 OUTLIER -119.35 45.15 2.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.326 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 57' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.365 1.041 . . . . 1.0 109.989 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' F3S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.561 ' CG ' ' O ' ' A' ' 36' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.933 0 N-CA-C 111.047 -0.405 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.836 HD12 ' HA ' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -44.17 165.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.472 ' HB3' HG23 ' A' ' 56' ' ' VAL . 2.2 tp10 -164.43 143.59 7.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -114.94 155.12 16.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.614 ' HB2' ' HB1' ' A' ' 54' ' ' ALA . 1.5 t-20 -91.95 -148.16 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -125.13 -42.16 2.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -63.72 -32.86 74.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.466 ' HB2' ' CB ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -45.42 141.34 2.67 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 108.278 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.682 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 35.0 mtt -107.25 -70.62 0.79 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.682 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 164.57 67.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.98 -33.78 68.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 108.262 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.733 ' O ' HG22 ' A' ' 15' ' ' VAL . 2.2 mt-10 68.25 9.01 6.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.7 -38.73 73.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.641 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 18.3 p -62.54 -42.19 99.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 108.283 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.927 HG12 ' CB ' ' A' ' 22' ' ' PHE . 4.9 m -72.77 -31.36 36.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.561 1.163 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.15 -33.36 75.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.435 HG21 ' N ' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -88.14 -42.99 15.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.501 ' SG ' ' CG2' ' A' ' 21' ' ' VAL . 2.7 t -126.08 74.27 71.91 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 108.276 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 1.99 7.13 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.441 1.758 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.3 -11.86 18.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.407 1.067 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.501 ' CG2' ' SG ' ' A' ' 18' ' ' CYS . 55.5 t -113.22 -23.36 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.927 ' CB ' HG12 ' A' ' 15' ' ' VAL . 39.7 m-85 -142.43 141.37 32.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -146.58 130.33 17.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.18 . . . . 0.0 110.282 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -39.23 151.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 111.038 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.572 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 21.3 t30 -66.64 -147.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.351 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.572 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 2.2 tt0 -74.67 -24.9 58.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.165 . . . . 0.0 110.284 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -142.06 11.32 1.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.42 ' O ' ' HB1' ' A' ' 10' ' ' ALA . . . 74.79 25.81 68.67 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.449 1.093 . . . . 0.0 111.009 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.29 -12.72 59.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 0.718 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.49 104.81 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.85 117.77 1.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.562 HG12 ' N ' ' A' ' 33' ' ' VAL . 60.1 t -91.58 170.31 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.816 HG21 HG13 ' A' ' 2' ' ' ILE . 85.9 t -112.37 131.9 62.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.406 HG13 ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -99.08 -33.03 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.488 ' C ' ' H ' ' A' ' 37' ' ' ASP . 4.4 t-20 -116.59 82.15 12.18 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.571 1.17 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.836 ' HA ' HD12 ' A' ' 2' ' ' ILE . 18.5 Cg_endo -74.95 36.87 0.45 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.546 1.814 . . . . 0.0 110.961 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.488 ' H ' ' C ' ' A' ' 35' ' ' ASN . 24.0 t70 170.97 41.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 109.348 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.03 -167.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 109.96 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -171.22 32.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.503 HD12 ' SG ' ' A' ' 42' ' ' CYS . 0.6 OUTLIER -97.28 -148.47 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.248 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -137.48 12.15 2.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.394 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.503 ' SG ' HD12 ' A' ' 40' ' ' LEU . 2.3 p -87.41 -16.11 35.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 108.28 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.475 ' O ' HD12 ' A' ' 47' ' ' ILE . 2.1 t -77.47 -28.14 15.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -68.57 -27.29 65.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 110.276 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 49' ' ' SER . 0.4 OUTLIER -84.88 -32.53 23.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.641 ' HB1' ' HB2' ' A' ' 14' ' ' CYS . . . -65.38 -24.93 67.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.475 HD12 ' O ' ' A' ' 43' ' ' VAL . 0.8 OUTLIER -88.22 -53.65 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.1 -18.12 59.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 61.6 m -97.24 -19.99 18.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.03 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.469 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 15.9 t -83.59 113.12 44.85 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 108.281 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 49' ' ' SER . 18.2 Cg_endo -74.97 -32.08 5.73 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.483 1.78 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -80.76 -5.9 57.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.287 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.469 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 0.1 OUTLIER 36.65 34.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.614 ' HB1' ' HB2' ' A' ' 5' ' ' ASN . . . -77.45 -23.33 50.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.507 ' CG1' ' S3 ' ' A' ' 59' ' ' F3S . 0.3 OUTLIER -93.22 110.48 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.472 HG23 ' HB3' ' A' ' 3' ' ' GLU . 17.4 m -124.0 173.38 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.332 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 58' ' ' SER . 14.1 ptm180 -122.35 42.17 3.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.137 . . . . 0.0 110.233 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 57' ' ' ARG . 31.4 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 1.0 109.979 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' F3S . . . . . 0.507 ' S3 ' ' CG1' ' A' ' 55' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.942 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.849 HD11 ' O ' ' A' ' 35' ' ' ASN . 0.1 OUTLIER -132.96 103.28 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.24 -165.47 1.97 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.105 . . . . 0.0 110.333 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.764 HG11 ' S3 ' ' A' ' 59' ' ' F3S . 2.7 m -130.62 -110.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.564 ' OD1' ' HB1' ' A' ' 54' ' ' ALA . 0.2 OUTLIER 175.82 -171.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.58 -37.75 49.84 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -44.22 -51.07 8.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 9' ' ' MET . 0.1 OUTLIER -50.12 160.39 0.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 108.302 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.514 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 12.3 ttm -100.54 -88.31 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 110.985 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.546 ' HB1' ' O ' ' A' ' 28' ' ' GLY . . . 174.14 41.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.67 -26.93 67.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 108.283 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.812 ' O ' HG22 ' A' ' 15' ' ' VAL . 82.3 mt-10 59.36 17.97 6.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.62 -49.58 52.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.448 ' O ' HG22 ' A' ' 17' ' ' ILE . 1.2 p -52.75 -42.32 64.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 108.3 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.918 HG12 ' HB2' ' A' ' 22' ' ' PHE . 3.6 m -73.29 -29.23 27.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 109.33 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -14.86 63.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.782 HD12 ' OE2' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -108.48 -37.7 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.48 71.79 71.01 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.578 1.174 . . . . 0.0 108.254 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.473 ' HA ' ' O ' ' A' ' 22' ' ' PHE . 18.3 Cg_endo -74.95 3.95 5.14 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.499 1.789 . . . . 0.0 110.988 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -97.94 -13.02 21.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.828 HG21 HD11 ' A' ' 40' ' ' LEU . 61.0 t -114.09 -28.52 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.393 1.058 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.918 ' HB2' HG12 ' A' ' 15' ' ' VAL . 12.9 m-85 -135.36 137.73 42.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.082 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.438 ' O ' HG12 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -146.28 139.91 26.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 110.302 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.418 ' N ' ' HG2' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -41.74 142.06 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.549 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 21.3 t30 -61.94 -147.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.549 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 2.8 tt0 -74.19 -25.63 59.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.606 1.191 . . . . 0.0 110.249 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -135.44 6.19 3.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.546 ' O ' ' HB1' ' A' ' 10' ' ' ALA . . . 73.19 23.25 77.94 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.16 -7.52 54.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 0.741 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -171.62 133.01 0.76 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.232 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.83 112.43 1.64 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.466 HG23 ' OD1' ' A' ' 25' ' ' ASN . 0.5 OUTLIER -82.48 160.17 3.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.42 ' CG2' ' O ' ' A' ' 2' ' ' ILE . 87.5 t -110.6 129.39 65.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.434 HG13 ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -104.72 -39.81 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.849 ' O ' HD11 ' A' ' 2' ' ' ILE . 6.9 t-20 -116.26 86.38 17.41 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 29.76 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.479 1.778 . . . . 0.0 111.017 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.512 ' H ' ' C ' ' A' ' 35' ' ' ASN . 31.8 t70 -177.87 48.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.515 ' OG ' HG22 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -59.12 -161.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.012 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -171.38 32.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.886 HD22 ' SG ' ' A' ' 42' ' ' CYS . 0.3 OUTLIER -107.38 -169.07 1.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -115.24 15.87 16.92 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.886 ' SG ' HD22 ' A' ' 40' ' ' LEU . 4.6 p -102.05 17.84 22.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 108.272 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.667 HG23 ' CD1' ' A' ' 40' ' ' LEU . 7.0 t -103.09 -26.92 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -85.72 -23.44 27.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.782 ' OE2' HD12 ' A' ' 17' ' ' ILE . 22.2 pt-20 -85.08 -16.45 40.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 110.276 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.12 -19.03 30.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.75 HG12 HG23 ' A' ' 55' ' ' ILE . 50.2 mt -97.09 -45.06 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -59.37 -42.8 92.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.1 m -75.32 -9.15 58.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 39.7 t -88.01 112.97 52.67 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 108.26 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -32.79 5.19 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.458 1.767 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -82.14 -7.08 59.61 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.44 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 3.1 mt-10 35.93 36.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 0.0 110.315 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.564 ' HB1' ' OD1' ' A' ' 5' ' ' ASN . . . -78.03 -14.04 59.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.75 HG23 HG12 ' A' ' 47' ' ' ILE . 1.3 tt -86.57 112.12 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 m -111.17 158.04 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.579 1.174 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.503 ' O ' ' OXT' ' A' ' 58' ' ' SER . 4.1 ptt85 -121.0 48.28 1.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.503 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 19.1 t . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 1.0 109.977 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' F3S . . . . . 0.764 ' S3 ' HG11 ' A' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.893 ' HB2' HD13 ' A' ' 2' ' ' ILE . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 111.007 -0.421 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.893 HD13 ' HB2' ' A' ' 1' ' ' PRO . 0.1 OUTLIER -116.4 103.66 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.57 1.168 . . . . 0.0 109.254 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.466 ' CG ' HG23 ' A' ' 56' ' ' VAL . 5.3 pt-20 -117.85 167.78 11.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.398 1.061 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.418 HG22 ' N ' ' A' ' 5' ' ' ASN . 11.5 p -122.5 161.78 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.243 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.641 ' HB2' ' HB1' ' A' ' 54' ' ' ALA . 5.6 m-20 -91.13 -171.75 3.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.555 1.159 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -103.97 -27.26 12.26 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -62.45 -20.2 64.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.33 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.29 136.9 48.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 108.329 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.719 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -97.84 -16.1 19.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.18 . . . . 0.0 111.011 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 9' ' ' MET . . . 87.74 70.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.395 1.06 . . . . 0.0 109.335 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.57 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 0.6 OUTLIER -72.64 -40.92 66.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 108.318 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.57 ' CG ' ' O ' ' A' ' 11' ' ' CYS . 0.2 OUTLIER 90.05 7.87 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.42 -49.96 56.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.509 ' O ' HG22 ' A' ' 17' ' ' ILE . 21.7 p -62.44 -31.41 72.11 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.516 1.135 . . . . 0.0 108.333 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 22' ' ' PHE . 95.0 t -73.67 -31.4 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -83.71 -11.99 56.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.707 HD12 ' HG3' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -98.68 -33.05 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.458 ' SG ' HG23 ' A' ' 21' ' ' VAL . 0.7 OUTLIER -160.54 83.77 2.03 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.453 1.096 . . . . 0.0 108.318 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.511 ' O ' ' CD1' ' A' ' 34' ' ' ILE . 18.1 Cg_endo -75.01 5.4 4.01 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.467 1.772 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -100.03 -12.57 19.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.508 HG13 ' HB2' ' A' ' 38' ' ' SER . 25.1 t -112.16 -31.06 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.926 ' CE1' HD11 ' A' ' 55' ' ' ILE . 14.9 m-85 -140.82 127.44 20.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.484 ' CG ' ' N ' ' A' ' 24' ' ' MET . 9.0 tt0 -141.41 158.44 43.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.484 ' N ' ' CG ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -63.67 143.57 57.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 30' ' ' LYS . 13.1 p-10 -59.75 -154.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.98 -53.99 11.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -73.05 -4.8 34.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.474 ' N ' ' OD1' ' A' ' 25' ' ' ASN . . . 61.47 34.62 89.0 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.98 -1.5 8.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 109.363 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 25' ' ' ASN . 2.0 tptt -135.04 115.27 13.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.404 ' CB ' ' S2 ' ' A' ' 59' ' ' F3S . . . -72.35 100.07 2.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.547 HG12 ' N ' ' A' ' 33' ' ' VAL . 83.9 t -96.95 168.27 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.792 HG21 ' O ' ' A' ' 2' ' ' ILE . 24.5 t -92.79 144.1 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.088 . . . . 0.0 109.363 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.511 ' CD1' ' O ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -114.6 -32.67 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.598 ' O ' HD11 ' A' ' 2' ' ' ILE . 9.5 t-20 -111.18 96.66 31.61 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.538 ' C ' HD11 ' A' ' 2' ' ' ILE . 18.4 Cg_endo -74.99 24.63 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.461 1.769 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.589 ' O ' ' C ' ' A' ' 38' ' ' SER . 16.0 t0 -175.72 36.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.448 1.092 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.589 ' C ' ' O ' ' A' ' 37' ' ' ASP . 1.6 t -22.75 -77.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.048 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.558 ' CB ' ' O ' ' A' ' 38' ' ' SER . 4.8 t0 86.11 15.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.43 HD12 ' HB2' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -124.05 152.98 42.02 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.434 1.084 . . . . 0.0 109.253 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 44' ' ' GLU . 18.9 t70 -58.24 -16.38 13.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 46' ' ' ALA . 0.9 OUTLIER -41.92 -39.04 1.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 108.374 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.439 HG12 HD12 ' A' ' 47' ' ' ILE . 25.5 t -62.13 -49.0 85.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.353 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 41' ' ' ASP . 0.2 OUTLIER -57.63 -46.51 84.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.595 1.184 . . . . 0.0 110.348 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.707 ' HG3' HD12 ' A' ' 17' ' ' ILE . 16.0 pt-20 -78.11 -15.09 59.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.242 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 42' ' ' CYS . . . -88.53 -15.38 35.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.502 ' CG1' ' CG2' ' A' ' 55' ' ' ILE . 6.2 mt -98.93 -44.34 11.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.04 -15.83 60.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.428 ' O ' ' HD3' ' A' ' 51' ' ' PRO . 1.2 m -99.62 -16.1 18.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.954 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 44.6 t -88.52 112.13 48.17 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 108.337 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 49' ' ' SER . 18.1 Cg_endo -75.02 -33.6 4.43 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.789 . . . . 0.0 110.959 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -82.15 -7.0 59.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.095 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 52' ' ' ALA . 13.2 mt-10 34.12 45.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.373 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.641 ' HB1' ' HB2' ' A' ' 5' ' ' ASN . . . -78.29 -13.44 59.85 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.926 HD11 ' CE1' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -88.55 108.7 19.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.466 HG23 ' CG ' ' A' ' 3' ' ' GLU . 3.1 m -108.5 154.17 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.357 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.731 ' O ' ' OXT' ' A' ' 58' ' ' SER . 7.9 mtt180 -104.12 51.98 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.731 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 31.6 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 1.0 110.0 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' F3S . . . . . 0.405 ' S2 ' ' HA ' ' A' ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.465 ' HB3' ' CB ' ' A' ' 36' ' ' PRO . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.905 0 N-CA-C 111.019 -0.416 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.682 ' H ' HD13 ' A' ' 2' ' ' ILE . 0.2 OUTLIER -108.23 135.3 47.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.598 1.186 . . . . 0.0 109.278 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -116.53 163.4 16.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.254 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.0 p -121.37 149.68 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.669 ' HB2' ' HB1' ' A' ' 54' ' ' ALA . 4.1 m-20 -84.0 -171.48 3.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -109.24 -27.73 9.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -21.68 65.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -55.09 150.44 10.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.405 1.066 . . . . 0.0 108.277 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.676 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 2.1 tpp -108.04 -70.94 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.676 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 162.96 58.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.416 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 4.1 m -70.09 -28.69 65.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 108.3 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.508 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 0.3 OUTLIER 59.54 14.16 3.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.43 -48.58 55.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.461 ' O ' HG22 ' A' ' 17' ' ' ILE . 30.7 p -61.67 -33.63 74.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 108.296 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.7 t -75.03 -30.87 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -81.84 -16.02 52.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.158 . . . . 0.0 110.332 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.704 HD12 ' HG3' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -94.9 -42.53 12.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.502 ' SG ' HG23 ' A' ' 21' ' ' VAL . 0.7 OUTLIER -147.93 84.42 6.93 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 108.309 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.424 ' O ' ' CD1' ' A' ' 34' ' ' ILE . 18.2 Cg_endo -75.05 3.16 5.89 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.521 1.801 . . . . 0.0 110.937 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 4.2 t70 -99.21 -13.4 19.74 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.671 HG13 ' HB2' ' A' ' 38' ' ' SER . 48.1 t -109.21 -31.59 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.549 ' CZ ' HG21 ' A' ' 55' ' ' ILE . 61.0 m-85 -135.12 124.94 25.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.512 ' CG ' ' N ' ' A' ' 24' ' ' MET . 1.3 tt0 -126.04 161.73 26.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 110.334 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.512 ' N ' ' CG ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -77.24 143.33 39.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.462 ' OD1' ' N ' ' A' ' 28' ' ' GLY . 12.0 p-10 -64.86 -157.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -67.0 -54.59 20.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.385 1.053 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -77.54 0.65 22.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.462 ' N ' ' OD1' ' A' ' 25' ' ' ASN . . . 57.17 29.95 60.38 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.458 1.099 . . . . 0.0 111.017 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' ' 25' ' ' ASN . 0.5 OUTLIER -117.35 -9.27 10.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 0.773 . . . . 0.0 109.26 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.431 ' O ' HG23 ' A' ' 32' ' ' VAL . 6.3 ttpt -121.18 111.85 17.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.24 99.65 0.94 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.351 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.556 HG12 ' N ' ' A' ' 33' ' ' VAL . 58.3 t -90.36 168.77 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.668 HG21 ' O ' ' A' ' 2' ' ' ILE . 59.3 t -96.73 148.58 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.539 HG13 ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -126.8 -33.5 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.357 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.515 ' O ' ' CD1' ' A' ' 2' ' ' ILE . 32.5 t-20 -113.95 88.4 14.38 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.465 ' CB ' ' HB3' ' A' ' 1' ' ' PRO . 18.2 Cg_endo -75.05 40.1 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.489 1.784 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.457 ' H ' ' C ' ' A' ' 35' ' ' ASN . 36.0 t70 177.44 37.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.671 ' HB2' HG13 ' A' ' 21' ' ' VAL . 39.1 t -58.72 -83.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.476 1.11 . . . . 0.0 110.049 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 t0 47.18 40.95 10.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.565 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 1.8 pp -113.39 27.64 9.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.565 ' CB ' ' O ' ' A' ' 40' ' ' LEU . 10.7 t0 87.49 -36.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.165 . . . . 0.0 109.249 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.535 ' O ' ' CB ' ' A' ' 46' ' ' ALA . 1.2 m -49.58 -34.54 18.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 108.384 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.672 HG12 HD12 ' A' ' 47' ' ' ILE . 98.7 t -69.22 -34.21 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 41' ' ' ASP . 23.7 tt0 -70.55 -38.08 74.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.704 ' HG3' HD12 ' A' ' 17' ' ' ILE . 11.0 pt-20 -87.35 -23.83 24.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.251 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.535 ' CB ' ' O ' ' A' ' 42' ' ' CYS . . . -78.82 -22.12 46.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.672 HD12 HG12 ' A' ' 43' ' ' VAL . 5.8 mt -90.53 -48.43 14.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -58.93 -38.84 79.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 93.5 p -74.23 -19.67 60.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.98 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 42.5 t -87.2 113.32 53.23 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 108.283 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -31.53 6.11 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.546 1.813 . . . . 0.0 111.044 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.455 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -84.19 -6.8 59.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 52' ' ' ALA . 1.7 pt-20 34.81 46.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 110.268 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.669 ' HB1' ' HB2' ' A' ' 5' ' ' ASN . . . -79.97 -11.7 59.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.549 HG21 ' CZ ' ' A' ' 22' ' ' PHE . 5.9 mt -87.89 112.14 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.246 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.5 m -117.61 168.8 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -104.68 51.54 0.76 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.548 1.155 . . . . 1.0 109.984 -179.946 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' F3S . . . . . 0.472 ' S3 ' HD11 ' A' ' 55' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.491 ' HB3' ' CB ' ' A' ' 36' ' ' PRO . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.952 0 N-CA-C 111.079 -0.393 . . . . 0.0 111.079 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.791 ' H ' HD13 ' A' ' 2' ' ' ILE . 0.2 OUTLIER -123.76 128.3 74.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.605 ' HB3' HG23 ' A' ' 56' ' ' VAL . 2.2 tt0 -97.57 152.39 19.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.441 1.088 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.801 ' HA ' HD13 ' A' ' 55' ' ' ILE . 2.4 p -125.5 2.84 4.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.198 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 m120 56.29 -172.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -119.44 -32.61 4.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 109.261 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -58.75 -16.55 17.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -53.21 161.03 0.95 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.128 . . . . 0.0 108.257 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.702 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -102.83 -84.66 0.46 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.702 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 162.45 59.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -72.84 -29.26 63.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 108.26 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.413 ' HG2' ' CE ' ' A' ' 24' ' ' MET . 0.8 OUTLIER 68.22 8.43 6.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.251 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.61 -47.99 61.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.4 p -60.51 -34.78 74.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 108.356 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 22' ' ' PHE . 84.4 t -73.82 -31.29 30.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -75.89 -16.58 60.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.311 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.671 ' CG2' ' HB2' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -97.5 -46.24 12.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.337 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.555 ' SG ' HG23 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -137.65 78.05 38.06 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 108.304 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 2.26 6.86 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.524 1.802 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.09 -8.42 22.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.555 HG23 ' SG ' ' A' ' 18' ' ' CYS . 47.0 t -112.01 -31.67 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.613 ' CE1' HG13 ' A' ' 2' ' ' ILE . 29.0 m-85 -133.23 117.59 17.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.956 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.453 ' CA ' ' OE1' ' A' ' 23' ' ' GLU . 1.5 tp10 -120.65 122.99 41.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 110.315 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.444 ' N ' ' OE1' ' A' ' 23' ' ' GLU . 3.5 mtt -37.74 148.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.594 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 32.3 t30 -60.6 -143.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.594 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 5.3 tt0 -99.84 -14.5 18.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.307 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -114.05 -8.23 13.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.243 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.403 ' HA2' ' HB3' ' A' ' 24' ' ' MET . . . 70.88 38.85 65.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.63 1.77 8.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 0.759 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 25' ' ' ASN . 6.4 ttpt -157.53 124.68 5.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.653 ' O ' HG11 ' A' ' 4' ' ' VAL . . . -79.07 107.52 11.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.414 HG21 ' OD1' ' A' ' 25' ' ' ASN . 57.3 t -84.28 149.54 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.378 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.534 HG13 HD11 ' A' ' 2' ' ' ILE . 21.7 t -80.7 140.75 16.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.534 1.147 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.456 HG13 ' C ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -119.76 -37.92 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.517 ' ND2' ' OG ' ' A' ' 38' ' ' SER . 16.9 t-20 -115.52 86.73 15.66 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.491 ' CB ' ' HB3' ' A' ' 1' ' ' PRO . 17.9 Cg_endo -75.07 38.75 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.494 1.786 . . . . 0.0 110.977 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.47 ' H ' ' C ' ' A' ' 35' ' ' ASN . 21.2 t0 174.21 41.37 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.528 ' OG ' HD11 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -82.31 -81.36 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.5 t70 54.86 50.93 14.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.071 . . . . 0.0 109.246 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.602 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -85.37 9.83 14.42 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.587 1.18 . . . . 0.0 109.352 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.602 ' CB ' ' O ' ' A' ' 40' ' ' LEU . 10.4 t70 90.71 2.54 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.362 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.576 ' SG ' HD12 ' A' ' 40' ' ' LEU . 4.1 p -104.56 11.92 33.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.304 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.882 ' O ' HD12 ' A' ' 47' ' ' ILE . 15.7 t -92.25 -27.31 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.258 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -79.96 -34.99 38.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.656 ' OE2' HD12 ' A' ' 17' ' ' ILE . 6.2 pt-20 -81.16 -9.5 59.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.671 ' HB2' ' CG2' ' A' ' 17' ' ' ILE . . . -92.11 -22.5 19.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.882 HD12 ' O ' ' A' ' 43' ' ' VAL . 3.6 mt -91.0 -45.19 14.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.37 -43.18 88.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 70.5 m -71.0 -17.89 62.62 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.404 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 15.2 t -86.83 114.02 56.1 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 108.304 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -28.33 9.25 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.479 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -81.91 -6.86 59.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.479 ' C ' ' O ' ' A' ' 52' ' ' ALA . 0.2 OUTLIER 32.98 45.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.87 -11.64 59.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.801 HD13 ' HA ' ' A' ' 4' ' ' VAL . 6.6 mm -87.78 129.86 38.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.605 HG23 ' HB3' ' A' ' 3' ' ' GLU . 2.5 m -138.3 173.24 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.581 1.175 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.442 ' O ' ' OXT' ' A' ' 58' ' ' SER . 9.8 ptm180 -109.05 17.72 21.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.442 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 9.4 t . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 1.0 110.011 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' F3S . . . . . 0.413 ' S3 ' HG12 ' A' ' 55' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.512 ' CG ' ' O ' ' A' ' 36' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.933 0 N-CA-C 111.012 -0.418 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.642 HD11 ' CG1' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -79.95 127.22 39.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -140.69 153.76 46.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.361 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.408 HG22 ' H ' ' A' ' 5' ' ' ASN . 1.2 p -103.04 171.08 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.374 1.046 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.903 ' HB2' ' HB1' ' A' ' 54' ' ' ALA . 11.9 m-20 -114.0 -170.2 1.67 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -105.36 -35.17 7.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.181 . . . . 0.0 109.34 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.21 -18.89 64.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -53.84 145.09 16.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 108.286 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.737 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 8.4 ttt -98.07 -24.09 15.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.737 ' HB3' ' O ' ' A' ' 9' ' ' MET . . . 90.88 65.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.222 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -31.08 64.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 108.326 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 77.37 8.66 2.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.332 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.78 -49.9 48.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.356 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 1.002 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 19.4 p -61.21 -30.72 70.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.095 . . . . 0.0 108.314 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.554 HG11 ' HG3' ' A' ' 24' ' ' MET . 87.7 t -74.43 -38.89 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.78 -24.0 52.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.444 HG21 ' N ' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -86.65 -38.41 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.516 ' SG ' HG23 ' A' ' 21' ' ' VAL . 1.4 t -141.32 73.1 25.88 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 108.358 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HB3' ' O ' ' A' ' 15' ' ' VAL . 18.5 Cg_endo -74.9 4.26 4.84 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.432 1.754 . . . . 0.0 111.065 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -102.73 -8.2 21.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.516 HG23 ' SG ' ' A' ' 18' ' ' CYS . 58.1 t -116.37 -31.76 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.462 ' C ' HD11 ' A' ' 34' ' ' ILE . 36.8 m-85 -133.48 125.43 28.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.422 1.076 . . . . 0.0 111.004 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.445 ' CB ' ' CD1' ' A' ' 34' ' ' ILE . 1.7 tt0 -123.0 130.05 52.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.419 1.075 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.554 ' HG3' HG11 ' A' ' 15' ' ' VAL . 2.9 mtm -38.04 156.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 110.987 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.624 ' ND2' ' H ' ' A' ' 26' ' ' GLU . 26.5 t30 -75.21 -147.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.624 ' H ' ' ND2' ' A' ' 25' ' ' ASN . 5.3 tt0 -68.27 -22.89 64.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 0.0 110.277 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -149.56 15.44 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.29 28.03 68.81 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -87.99 -7.85 56.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 0.756 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 31' ' ' ALA . 6.4 tttm -169.23 89.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' LYS . . . -39.33 121.78 1.21 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.554 HG12 ' N ' ' A' ' 33' ' ' VAL . 43.5 t -97.15 169.83 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.642 ' CG1' HD11 ' A' ' 2' ' ' ILE . 61.4 t -98.17 143.96 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.462 HD11 ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -120.13 -36.33 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.496 ' C ' ' H ' ' A' ' 37' ' ' ASP . 5.1 t-20 -115.69 86.69 16.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.4 1.063 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.556 ' HA ' ' CD1' ' A' ' 2' ' ' ILE . 18.4 Cg_endo -74.98 33.43 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.468 1.773 . . . . 0.0 111.034 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.496 ' H ' ' C ' ' A' ' 35' ' ' ASN . 27.1 t70 171.24 42.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.09 -169.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.041 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.61 30.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.464 HD23 ' N ' ' A' ' 40' ' ' LEU . 2.9 mt -90.94 -167.42 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -125.24 27.89 6.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.579 1.175 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.464 ' HA ' ' HG3' ' A' ' 45' ' ' GLU . 0.8 OUTLIER -106.18 -10.94 16.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 108.31 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 46' ' ' ALA . 59.9 t -72.1 -55.73 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.33 -24.46 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.414 1.071 . . . . 0.0 110.277 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 49' ' ' SER . 0.3 OUTLIER -88.06 -35.11 17.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 1.002 ' HB1' ' HB2' ' A' ' 14' ' ' CYS . . . -64.38 -23.39 67.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -90.64 -51.39 11.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.52 -22.08 66.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.163 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 53.5 m -91.08 -15.63 29.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.009 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 51.8 t -88.63 112.6 51.3 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 108.253 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 49' ' ' SER . 18.2 Cg_endo -75.03 -32.88 4.97 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.485 1.782 . . . . 0.0 110.956 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -85.06 -7.03 59.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 52' ' ' ALA . 2.4 tm-20 35.58 45.73 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.903 ' HB1' ' HB2' ' A' ' 5' ' ' ASN . . . -79.5 -16.07 56.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.847 HG23 ' S3 ' ' A' ' 59' ' ' F3S . 9.9 pt -88.7 117.08 31.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 m -112.91 162.33 11.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 0.0 109.241 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.932 ' O ' ' OXT' ' A' ' 58' ' ' SER . 58.2 mtm180 -105.16 39.64 1.68 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.932 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 12.0 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 1.0 109.964 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' F3S . . . . . 0.847 ' S3 ' HG23 ' A' ' 55' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.586 ' HB2' HD13 ' A' ' 2' ' ' ILE . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.951 0 N-CA-C 111.061 -0.4 . . . . 0.0 111.061 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.973 HD11 HG11 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -50.6 -179.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.454 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . 2.3 tp10 -152.37 156.9 40.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.502 ' O ' ' CB ' ' A' ' 5' ' ' ASN . 3.2 p -136.32 -44.64 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.362 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 4' ' ' VAL . 0.5 OUTLIER 82.81 -171.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.85 -12.55 13.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.6 -20.37 65.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.473 ' SG ' ' N ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -56.25 162.38 2.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 108.276 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.686 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 7.2 mtm -98.86 -90.46 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.051 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 9' ' ' MET . . . 162.27 50.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.419 ' SG ' ' S4 ' ' A' ' 59' ' ' F3S . 4.3 p -72.71 -40.88 65.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.065 . . . . 0.0 108.302 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 11' ' ' CYS . 41.2 tt0 79.61 16.2 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.24 -50.31 48.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.42 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 22.7 p -62.82 -30.86 71.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 108.334 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 22' ' ' PHE . 40.8 t -73.82 -34.42 40.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.24 -19.4 53.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.547 HD12 ' HG3' ' A' ' 45' ' ' GLU . 0.5 OUTLIER -91.4 -38.51 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 109.327 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.16 78.87 9.34 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.298 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.459 ' HA ' ' O ' ' A' ' 22' ' ' PHE . 18.4 Cg_endo -74.97 4.03 5.08 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.51 1.795 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -98.1 -15.13 20.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.232 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.873 HG21 HD11 ' A' ' 40' ' ' LEU . 47.5 t -113.79 -25.5 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.543 ' O ' HG22 ' A' ' 15' ' ' VAL . 29.4 m-85 -139.59 122.22 16.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.478 ' HB3' ' CD1' ' A' ' 34' ' ' ILE . 6.2 tt0 -137.87 145.0 41.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.245 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.428 ' HB3' ' HA2' ' A' ' 28' ' ' GLY . 2.6 mtp -55.25 150.44 11.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 30' ' ' LYS . 12.7 p-10 -67.46 -155.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.74 -53.06 20.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 110.327 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -73.96 -5.28 40.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 110.262 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.457 ' N ' ' OD1' ' A' ' 25' ' ' ASN . . . 61.0 34.1 86.56 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.55 -2.66 8.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 25' ' ' ASN . 4.2 tptm -132.81 121.68 23.33 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.89 100.93 3.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.508 HG12 ' N ' ' A' ' 33' ' ' VAL . 79.3 t -92.11 166.03 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.973 HG11 HD11 ' A' ' 2' ' ' ILE . 60.2 t -97.43 144.33 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.152 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -116.09 -31.37 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.479 ' C ' ' H ' ' A' ' 37' ' ' ASP . 3.1 t-20 -117.95 79.09 13.43 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.587 ' HA ' ' CD1' ' A' ' 2' ' ' ILE . 18.4 Cg_endo -74.97 38.39 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.455 1.766 . . . . 0.0 111.04 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.479 ' H ' ' C ' ' A' ' 35' ' ' ASN . 19.1 t0 172.55 43.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.223 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -164.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.473 1.108 . . . . 0.0 110.003 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -171.48 33.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.24 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.873 HD11 HG21 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -113.11 -175.63 2.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 109.347 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 44' ' ' GLU . 10.1 t70 -98.77 -18.06 18.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.746 ' SG ' HD13 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -42.63 -30.58 0.38 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.168 . . . . 0.0 108.294 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.465 HG12 ' CD1' ' A' ' 47' ' ' ILE . 21.4 t -62.33 -51.67 69.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.37 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 41' ' ' ASP . 6.6 mt-10 -55.5 -43.19 75.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.547 ' HG3' HD12 ' A' ' 17' ' ' ILE . 21.7 pt-20 -83.06 0.28 45.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.484 ' HB2' ' O ' ' A' ' 42' ' ' CYS . . . -103.28 -20.0 14.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.523 ' CG1' HG22 ' A' ' 55' ' ' ILE . 1.0 OUTLIER -96.99 -40.09 9.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.54 -31.74 72.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.3 m -82.59 -7.83 59.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.449 ' SG ' ' N ' ' A' ' 53' ' ' GLU . 48.1 t -88.3 112.9 52.65 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.397 1.061 . . . . 0.0 108.31 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -32.68 5.28 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.428 1.751 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 53' ' ' GLU . . . -84.97 -7.2 59.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.449 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 1.1 mm-40 34.51 45.86 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.71 -21.9 40.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.085 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.523 HG22 ' CG1' ' A' ' 47' ' ' ILE . 7.1 mt -88.49 139.39 17.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.333 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.454 ' CG2' ' HB3' ' A' ' 3' ' ' GLU . 5.0 m -141.47 -178.33 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.643 ' O ' ' OXT' ' A' ' 58' ' ' SER . 0.8 OUTLIER -118.56 47.5 1.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.323 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.643 ' OXT' ' O ' ' A' ' 57' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 1.0 110.004 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' F3S . . . . . 0.514 ' S3 ' HD12 ' A' ' 55' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_