data_2jv5_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 2jv5 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.824 0 N-CA-C 111.004 -0.422 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 t80 179.7 -48.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.075 . . . . 0.0 110.967 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -31.25 72.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.16 -34.46 70.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -74.99 -36.15 62.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.567 ' CD1' ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -57.35 -47.29 81.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.342 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.567 ' N ' ' CD1' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -52.87 -26.99 16.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.406 1.066 . . . . 0.0 110.314 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.1 t -54.91 -19.17 6.04 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.474 1.109 . . . . 0.0 109.956 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -57.87 -27.98 63.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.03 -33.97 37.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.569 1.168 . . . . 0.0 109.35 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.48 -49.26 50.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.424 HG13 ' N ' ' A' ' 30' ' ' SER . 3.1 pt -58.42 -39.55 75.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.424 ' N ' HG13 ' A' ' 29' ' ' ILE . 68.2 m -54.68 -40.45 69.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.44 1.087 . . . . 0.0 109.98 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.479 ' CA ' ' OE1' ' A' ' 31' ' ' GLU . 2.0 tp10 -69.22 -41.85 76.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 35' ' ' GLN . 2.0 tt0 -69.69 -44.0 71.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.246 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.472 HD23 ' CD ' ' A' ' 53' ' ' ARG . 2.6 tp -46.06 -49.34 16.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.455 ' O ' ' HB3' ' A' ' 37' ' ' TYR . 3.4 t -62.44 -35.4 69.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 32' ' ' GLU . 12.2 mt-30 -70.91 -24.14 62.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 38' ' ' SER . 44.1 mmtt -58.81 -28.91 66.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.455 ' HB3' ' O ' ' A' ' 34' ' ' VAL . 3.4 p90 -40.33 -27.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' LYS . 0.3 OUTLIER -54.57 -38.68 66.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.984 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.58 -30.78 71.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.358 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.09 -13.04 5.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.17 -34.72 70.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.432 ' N ' ' CD1' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -80.45 53.11 1.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.616 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . 87.37 -57.53 4.5 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.43 1.081 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.616 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 0.9 OUTLIER 153.18 133.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 0.739 . . . . 0.0 109.556 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.464 ' CG2' ' C ' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -168.06 -60.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -71.39 -31.95 67.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 12.2 t -55.32 -30.81 60.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.107 . . . . 0.0 108.273 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.457 ' CG2' HD11 ' A' ' 49' ' ' ILE . 0.7 OUTLIER -59.9 -34.58 73.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.457 HD11 ' CG2' ' A' ' 48' ' ' THR . 1.3 mp -73.4 -33.31 39.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -52.25 -31.82 34.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -52.63 -30.13 29.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.6 mt -57.22 -54.26 48.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.472 ' CD ' HD23 ' A' ' 33' ' ' LEU . 15.8 mmm180 -56.48 -38.62 71.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 110.326 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 110.962 -0.438 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 t80 178.99 -49.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -31.39 72.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.22 -34.31 70.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -75.04 -35.98 61.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.415 1.072 . . . . 0.0 110.942 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.561 ' CD1' ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -56.81 -47.51 80.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.561 ' N ' ' CD1' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -52.92 -27.46 18.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.27 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 t -55.15 -19.0 6.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.505 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -57.99 -31.1 66.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 110.288 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.5 m -73.84 -34.26 39.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.2 -36.0 82.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.518 ' O ' ' CB ' ' A' ' 33' ' ' LEU . 5.2 pt -81.48 -34.58 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.428 ' N ' HG13 ' A' ' 29' ' ' ILE . 53.2 m -65.4 -46.49 79.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.987 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 12.5 pt-20 -60.69 -49.44 77.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.546 1.154 . . . . 0.0 110.25 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 8.6 pt-20 -71.25 -36.65 71.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.518 ' CB ' ' O ' ' A' ' 29' ' ' ILE . 2.6 tp -53.1 -22.85 6.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.484 ' O ' ' HB3' ' A' ' 37' ' ' TYR . 79.1 t -56.83 -37.1 52.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.414 1.071 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -61.67 -22.33 65.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 110.272 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.488 ' HG3' ' CD1' ' A' ' 33' ' ' LEU . 2.2 mmpt? -58.36 -30.61 66.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.484 ' HB3' ' O ' ' A' ' 34' ' ' VAL . 3.3 p90 -40.67 -27.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -55.21 -37.89 67.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.998 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.478 ' O ' HD13 ' A' ' 42' ' ' LEU . 11.5 m-20 -63.55 -29.95 71.14 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.413 1.07 . . . . 0.0 109.23 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.36 -10.19 1.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.059 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.407 ' H ' ' C ' ' A' ' 39' ' ' ASN . . . -54.35 -33.96 60.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.478 HD13 ' O ' ' A' ' 39' ' ' ASN . 0.8 OUTLIER -96.07 -24.77 16.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 71.39 54.81 8.32 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -138.41 -91.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 0.743 . . . . 0.0 109.561 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 48' ' ' THR . 3.5 p -50.63 -47.98 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -47.35 -32.75 5.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.524 ' O ' ' CD ' ' A' ' 50' ' ' LYS . 1.0 OUTLIER -55.95 -37.13 68.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 108.288 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 45' ' ' VAL . 1.0 OUTLIER -73.96 -33.32 63.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.399 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.504 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.9 OUTLIER -56.45 -34.15 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.249 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.524 ' CD ' ' O ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -50.93 -34.18 27.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -70.18 -34.46 72.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.437 ' CD1' HD22 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -67.12 -57.86 5.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.42 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.431 ' HB3' ' CD2' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -71.46 -33.39 69.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.561 1.163 . . . . 0.0 110.209 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.918 0 N-CA-C 111.039 -0.408 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.88 -34.3 3.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.547 ' H ' ' CD ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -75.5 -29.43 59.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.252 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.5 -32.64 51.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -60.9 -34.73 75.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.54 ' CD1' ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -64.9 -47.54 77.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.54 ' N ' ' CD1' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -52.81 -27.07 16.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.4 m -54.99 -19.63 7.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.994 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -58.39 -42.85 88.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.213 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 p -74.13 -37.22 46.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.92 -38.35 82.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.352 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 24.8 pt -78.88 -33.27 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.471 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 15.1 t -53.63 -45.45 70.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 110.014 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -70.32 -38.55 74.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -70.02 -51.19 34.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.078 . . . . 0.0 110.29 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.485 ' CD2' HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -47.01 -34.78 5.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.382 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.485 HG21 ' CD2' ' A' ' 33' ' ' LEU . 45.3 t -65.64 -39.47 85.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' GLU . 6.2 mm100 -69.54 -23.97 63.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.416 ' C ' ' N ' ' A' ' 38' ' ' SER . 8.6 mmtt -59.25 -31.28 68.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.42 ' HB3' ' O ' ' A' ' 34' ' ' VAL . 2.0 p90 -41.82 -26.82 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.416 ' N ' ' C ' ' A' ' 36' ' ' LYS . 68.5 p -58.27 -40.58 82.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 110.028 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.493 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 4.4 m-20 -76.29 -31.24 58.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.233 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.2 p -60.09 -12.63 8.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 109.985 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -58.52 -44.36 89.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.343 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -39.57 -88.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.56 10.12 6.44 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.523 1.14 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.587 ' CE1' ' SG ' ' A' ' 47' ' ' CYS . 0.2 OUTLIER 79.65 102.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 0.739 . . . . 0.0 109.615 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.45 -46.81 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.168 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.415 ' ND2' ' CB ' ' A' ' 39' ' ' ASN . 38.6 m-80 -75.2 -32.74 61.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.132 . . . . 0.0 109.241 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.587 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 0.9 OUTLIER -55.49 -31.03 61.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 108.321 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.486 HG21 ' CD1' ' A' ' 49' ' ' ILE . 0.9 OUTLIER -60.45 -34.86 74.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.486 ' CD1' HG21 ' A' ' 48' ' ' THR . 6.2 mm -75.82 -34.31 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 109.321 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -53.58 -31.62 47.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.295 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -53.6 -33.88 56.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.63 -49.51 77.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.378 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.458 ' CG ' HD23 ' A' ' 33' ' ' LEU . 16.1 mmm180 -70.5 -42.92 70.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.395 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.81 0 N-CA-C 111.03 -0.412 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -119.34 -35.65 3.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.86 -32.19 67.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.339 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.56 -35.76 72.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.411 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.1 OUTLIER -70.88 -35.43 72.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 110.998 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.406 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -54.85 -47.42 74.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.475 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 0.3 OUTLIER -52.91 -27.37 18.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.357 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 22' ' ' TYR . 1.6 t -55.46 -18.89 7.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.406 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 10.6 pt-20 -58.17 -46.2 86.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.475 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 5.9 m -74.18 -34.69 38.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.46 -38.86 91.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.1 pt -78.22 -34.0 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 t -56.23 -33.72 65.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.004 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.532 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 6.7 tp10 -69.23 -45.38 69.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.127 . . . . 0.0 110.268 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -71.96 -36.09 69.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.521 HD13 ' CD ' ' A' ' 53' ' ' ARG . 0.5 OUTLIER -47.26 -31.14 3.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.566 1.166 . . . . 0.0 109.397 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' A' ' 31' ' ' GLU . 6.4 m -52.37 -37.41 23.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -57.49 -25.96 60.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.412 1.07 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.475 ' CD ' HD21 ' A' ' 33' ' ' LEU . 14.4 mttt -61.69 -25.53 67.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -38.89 -27.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 36' ' ' LYS . 0.3 OUTLIER -53.71 -37.67 63.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.024 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.498 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 65.7 m-20 -52.62 -29.13 24.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.445 ' HA ' ' CB ' ' A' ' 46' ' ' ASN . 3.0 t -56.92 -14.6 3.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.78 -35.55 72.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 39' ' ' ASN . 0.6 OUTLIER -96.38 -27.52 14.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.264 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.64 37.9 77.52 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.57 1.169 . . . . 0.0 110.935 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.461 ' CB ' HD12 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -119.88 -80.12 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.62 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.516 ' O ' ' N ' ' A' ' 48' ' ' THR . 4.1 m -63.91 -37.47 79.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.445 ' CB ' ' HA ' ' A' ' 40' ' ' SER . 10.5 t-20 -43.95 -33.65 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -55.72 -41.24 73.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 0.0 108.262 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -75.5 -34.13 60.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.45 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.471 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.9 OUTLIER -57.66 -41.59 79.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -51.62 -35.29 41.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.075 . . . . 0.0 109.239 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.436 ' N ' ' HG3' ' A' ' 50' ' ' LYS . 23.7 mt-10 -68.55 -40.14 80.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 110.193 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.476 HD23 ' CD2' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -67.89 -47.49 68.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.236 -179.884 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.521 ' CD ' HD13 ' A' ' 33' ' ' LEU . 33.0 mmm-85 -54.55 -45.72 73.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.443 1.089 . . . . 0.0 110.317 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 N-CA-C 110.974 -0.433 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -65.47 -35.88 82.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 111.051 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.6 -31.73 72.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 110.238 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.16 -44.27 87.85 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.5 1.125 . . . . 0.0 109.216 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.42 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -62.62 -35.21 78.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 111.001 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.499 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -54.81 -47.73 73.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.89 -27.22 17.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 22' ' ' TYR . 7.3 t -54.88 -19.83 7.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.117 . . . . 0.0 110.008 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -58.46 -27.99 64.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.0 t -73.8 -33.79 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.48 -48.82 53.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.428 HG13 ' N ' ' A' ' 30' ' ' SER . 3.0 pt -59.33 -39.67 79.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.428 ' N ' HG13 ' A' ' 29' ' ' ILE . 73.5 m -55.1 -43.55 74.14 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 110.019 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -69.32 -37.8 77.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 35' ' ' GLN . 71.0 mm-40 -70.73 -44.6 66.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.527 ' CD2' ' HA ' ' A' ' 50' ' ' LYS . 12.5 tp -47.19 -32.6 4.54 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.476 ' O ' ' HB3' ' A' ' 37' ' ' TYR . 11.5 t -55.78 -35.96 41.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.5 ' CG ' ' O ' ' A' ' 32' ' ' GLU . 1.2 pp0? -62.03 -23.07 66.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.42 ' C ' ' N ' ' A' ' 38' ' ' SER . 30.7 mmtt -60.15 -32.29 70.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.476 ' HB3' ' O ' ' A' ' 34' ' ' VAL . 1.6 p90 -42.38 -25.58 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.42 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -54.69 -36.66 64.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 110.012 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -49.16 -30.14 6.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.75 -15.88 9.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 110.02 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.9 -36.33 83.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.473 ' N ' ' CD1' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -75.72 -73.16 0.27 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -168.73 32.32 0.18 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.497 ' CE1' HG23 ' A' ' 48' ' ' THR . 0.2 OUTLIER 72.47 113.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 0.793 . . . . 0.0 109.566 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.421 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 5.9 p -165.61 30.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 179.79 -33.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.495 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 2.1 t -54.85 -28.71 51.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 108.31 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.497 HG23 ' CE1' ' A' ' 44' ' ' HIS . 0.3 OUTLIER -70.92 -34.91 71.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.423 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.475 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.9 OUTLIER -78.05 -48.14 23.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.527 ' HA ' ' CD2' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -54.39 -34.61 61.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -55.43 -32.35 62.65 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.526 1.142 . . . . 0.0 110.256 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.5 tp -58.88 -54.37 47.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.364 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.501 ' CG ' ' CD2' ' A' ' 33' ' ' LEU . 31.0 mmt180 -71.39 -33.62 69.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.344 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 110.981 -0.431 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -74.69 -35.45 62.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -31.68 72.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.107 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.1 -42.59 86.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.412 ' O ' ' CB ' ' A' ' 25' ' ' SER . 3.9 m-85 -64.44 -35.39 80.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.493 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -54.98 -47.54 74.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.437 1.086 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.96 -27.2 17.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.36 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 22' ' ' TYR . 4.1 t -54.91 -19.73 7.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -58.47 -27.88 64.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.364 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.3 m -74.02 -35.18 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.66 -34.53 78.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.426 HG13 ' N ' ' A' ' 30' ' ' SER . 1.9 pt -79.74 -35.63 16.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.426 ' N ' HG13 ' A' ' 29' ' ' ILE . 8.9 t -54.1 -52.41 61.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.405 1.065 . . . . 0.0 110.027 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -35.64 75.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.52 -50.37 69.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.478 ' HG ' ' CZ ' ' A' ' 53' ' ' ARG . 1.7 tm? -52.1 -42.61 63.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.414 ' CG2' ' O ' ' A' ' 30' ' ' SER . 12.0 t -58.52 -38.13 68.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.449 1.093 . . . . 0.0 109.347 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -63.65 -26.25 68.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.353 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -65.01 -31.22 72.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -41.35 -27.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.2 t -55.38 -38.71 69.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.042 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.492 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 5.8 t30 -69.43 -30.79 68.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.1 p -58.26 -15.63 10.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 110.024 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.52 -39.55 91.43 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -53.86 -83.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -129.71 22.47 4.89 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.443 1.089 . . . . 0.0 110.967 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 65.63 44.73 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 0.794 . . . . 0.0 109.6 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.2 m -77.99 -19.61 13.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.349 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.437 ' OD1' ' CB ' ' A' ' 39' ' ' ASN . 0.6 OUTLIER -95.5 -32.24 12.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.365 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.61 -30.61 61.2 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 1.128 . . . . 0.0 108.307 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.519 ' CG2' ' N ' ' A' ' 49' ' ' ILE . 1.3 t -66.25 -52.28 49.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.423 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.519 ' N ' ' CG2' ' A' ' 48' ' ' THR . 1.9 pp -71.74 -30.05 36.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 0.0 109.371 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.493 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 1.4 mtpm? -49.51 -30.0 7.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.203 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -52.39 -30.49 29.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.71 -56.83 16.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.478 ' CZ ' ' HG ' ' A' ' 33' ' ' LEU . 86.6 mmt-85 -59.32 -41.77 89.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 110.263 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.23 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 110.988 -0.428 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -85.75 -35.59 20.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.55 -31.79 68.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.51 -35.74 72.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.407 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.1 OUTLIER -74.26 -35.54 63.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.559 ' CD1' ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -54.98 -47.6 74.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.559 ' N ' ' CD1' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -52.79 -27.1 16.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.344 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.494 ' O ' ' CG2' ' A' ' 29' ' ' ILE . 7.9 t -55.13 -19.5 7.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.075 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 2.1 pp20? -58.16 -43.51 87.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.28 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.3 p -74.33 -35.09 38.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.569 1.168 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.87 -38.2 88.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.247 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.494 ' CG2' ' O ' ' A' ' 25' ' ' SER . 6.3 pt -78.76 -33.64 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.55 ' O ' ' CG1' ' A' ' 34' ' ' VAL . 3.4 t -52.77 -52.95 54.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.396 1.06 . . . . 0.0 110.004 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.473 ' HA ' ' CG2' ' A' ' 34' ' ' VAL . 8.2 tt0 -60.83 -35.06 75.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.42 ' O ' ' CG ' ' A' ' 35' ' ' GLN . 0.5 OUTLIER -73.53 -30.75 63.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.309 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.483 HD23 ' CD ' ' A' ' 36' ' ' LYS . 2.1 tm? -83.43 -49.67 9.07 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.55 ' CG1' ' O ' ' A' ' 30' ' ' SER . 5.0 m -54.78 -41.78 58.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.421 ' HG3' ' N ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -57.8 -22.67 48.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.483 ' CD ' HD23 ' A' ' 33' ' ' LEU . 2.0 mtpt -64.55 -31.67 72.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.545 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.8 OUTLIER -42.05 -26.2 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.545 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 98.0 p -56.68 -36.56 69.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.023 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.515 ' CB ' ' CG1' ' A' ' 45' ' ' VAL . 2.0 m-20 -56.75 -28.64 61.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.01 -16.74 7.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.21 -35.2 77.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.41 1.069 . . . . 0.0 109.238 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.437 ' CD1' ' N ' ' A' ' 42' ' ' LEU . 4.7 mp -56.71 -85.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.54 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . -129.99 4.95 6.07 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.456 1.097 . . . . 0.0 111.066 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.54 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 1.5 t60 90.33 63.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 0.746 . . . . 0.0 109.567 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 48' ' ' THR . 12.5 p -86.55 -19.43 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 45' ' ' VAL . 3.0 t-20 -39.93 -30.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.431 ' N ' ' C ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -51.67 -43.97 62.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 108.34 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.535 ' N ' ' O ' ' A' ' 45' ' ' VAL . 1.1 t -70.7 -34.66 72.19 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 0.0 110.352 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.472 ' CD1' HG23 ' A' ' 48' ' ' THR . 1.3 mp -63.57 -32.41 56.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.472 ' HA ' ' CD ' ' A' ' 53' ' ' ARG . 22.9 mtpt -50.93 -34.39 28.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.96 -35.28 80.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.279 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -68.57 -58.48 4.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.472 ' CD ' ' HA ' ' A' ' 50' ' ' LYS . 1.1 ptm180 -65.49 -33.39 75.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.827 0 N-CA-C 111.038 -0.408 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -175.75 -37.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.43 ' CD ' ' H ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -75.06 -46.19 36.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.248 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.51 -34.29 66.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.408 ' O ' ' CB ' ' A' ' 25' ' ' SER . 7.2 m-85 -76.56 -34.73 58.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.433 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -55.19 -47.83 74.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.472 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 0.2 OUTLIER -53.25 -27.2 21.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 22' ' ' TYR . 2.4 t -54.88 -19.15 5.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.024 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 8.3 pt-20 -58.67 -45.24 89.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.231 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 17.2 m -73.43 -34.18 42.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.07 -38.17 87.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.3 pt -78.42 -33.73 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.439 ' O ' ' CG1' ' A' ' 34' ' ' VAL . 11.4 m -54.13 -32.8 56.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.976 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.406 ' O ' HG22 ' A' ' 34' ' ' VAL . 14.1 tt0 -69.48 -49.16 57.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -72.4 -45.99 57.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.48 ' CD1' ' HB3' ' A' ' 53' ' ' ARG . 0.5 OUTLIER -47.41 -58.67 3.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.439 ' CG1' ' O ' ' A' ' 30' ' ' SER . 11.5 m -56.3 -37.67 51.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.431 ' N ' HG23 ' A' ' 34' ' ' VAL . 6.5 mm100 -62.6 -26.23 68.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.418 ' C ' ' N ' ' A' ' 38' ' ' SER . 7.8 mttt -60.9 -30.21 70.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -41.19 -27.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 110.998 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 36' ' ' LYS . 0.2 OUTLIER -55.6 -37.26 67.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.414 1.071 . . . . 0.0 109.987 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.497 ' HB3' ' CG1' ' A' ' 45' ' ' VAL . 16.3 m-20 -52.59 -30.7 32.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.492 ' N ' ' ND2' ' A' ' 46' ' ' ASN . 0.3 OUTLIER -59.12 -13.71 7.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.011 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.55 -36.89 74.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.498 HD13 ' CB ' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -97.94 -31.77 12.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.18 -0.76 89.56 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.552 1.158 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.498 ' CB ' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -107.82 60.99 0.61 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 0.774 . . . . 0.0 109.521 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.497 ' CG1' ' HB3' ' A' ' 39' ' ' ASN . 0.2 OUTLIER 170.44 -45.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.492 ' ND2' ' N ' ' A' ' 40' ' ' SER . 0.4 OUTLIER -45.53 -33.75 2.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.574 1.171 . . . . 0.0 109.32 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.543 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 1.2 m -57.1 -43.71 82.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 108.359 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 45' ' ' VAL . 0.9 OUTLIER -74.1 -34.24 63.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.392 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.454 HD11 ' N ' ' A' ' 49' ' ' ILE . 2.9 mm -57.89 -32.89 44.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.382 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.543 ' CG ' ' O ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -50.69 -35.73 32.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.33 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -66.83 -36.96 83.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.3 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 49.4 mt -67.35 -56.81 8.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.48 ' HB3' ' CD1' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -66.85 -33.6 75.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 110.27 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 50' ' ' LYS . 34.2 ptt180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.43 ' O ' ' HB3' ' A' ' 22' ' ' TYR . 0.7 OUTLIER -84.05 -54.42 4.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.421 1.076 . . . . 0.0 111.022 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.533 ' CD ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -56.63 -27.49 58.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.533 ' N ' ' CD ' ' A' ' 20' ' ' ARG . . . -58.37 -34.54 70.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.431 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -76.28 -36.46 58.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 111.024 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.509 ' CD2' ' N ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -55.82 -47.3 77.42 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.478 1.111 . . . . 0.0 109.225 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.509 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -52.39 -27.25 14.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.29 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 22' ' ' TYR . 4.6 t -55.1 -19.17 6.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 110.047 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 6.5 pt-20 -58.28 -41.92 85.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.3 p -74.01 -36.89 46.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.42 -37.48 78.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.416 HG13 ' N ' ' A' ' 30' ' ' SER . 8.9 pt -79.23 -33.8 15.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.416 ' N ' HG13 ' A' ' 29' ' ' ILE . 3.7 p -54.16 -45.61 72.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.996 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -64.86 -35.65 81.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 110.345 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.435 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -73.98 -52.01 14.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.468 ' HG ' ' CG ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -49.79 -52.22 33.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.464 HG22 ' N ' ' A' ' 35' ' ' GLN . 16.5 m -55.1 -35.02 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.464 ' N ' HG22 ' A' ' 34' ' ' VAL . 9.9 mt-30 -69.19 -24.57 64.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.428 ' C ' ' N ' ' A' ' 38' ' ' SER . 1.0 OUTLIER -60.92 -31.92 71.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 38' ' ' SER . 1.4 p90 -41.91 -26.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.162 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.447 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 2.9 m -55.14 -37.54 67.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 0.0 110.008 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.556 ' O ' ' CD1' ' A' ' 42' ' ' LEU . 4.8 m-20 -71.41 -29.81 65.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 37' ' ' TYR . 8.7 p -57.68 -11.53 2.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.971 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.47 -34.58 64.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.258 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.556 ' CD1' ' O ' ' A' ' 39' ' ' ASN . 1.0 OUTLIER -41.62 -78.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.47 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . -149.34 18.28 1.17 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.485 1.116 . . . . 0.0 111.027 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.548 ' CD2' ' HB3' ' A' ' 47' ' ' CYS . 2.1 t60 86.22 105.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 109.602 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 46' ' ' ASN . 12.4 p -153.0 -54.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.406 ' N ' HG13 ' A' ' 45' ' ' VAL . 1.7 m-80 -68.04 -33.13 74.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.273 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.548 ' HB3' ' CD2' ' A' ' 44' ' ' HIS . 27.1 t -56.28 -29.68 61.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 108.279 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.48 HG21 ' CD1' ' A' ' 49' ' ' ILE . 0.8 OUTLIER -75.92 -34.24 59.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 110.398 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.571 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.6 OUTLIER -72.65 -38.88 59.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.238 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.518 ' HG3' ' O ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -51.47 -32.85 28.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.473 ' N ' ' HG3' ' A' ' 50' ' ' LYS . 3.4 mt-10 -55.21 -32.81 62.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.0 -54.48 46.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.468 ' CG ' ' HG ' ' A' ' 33' ' ' LEU . 22.4 mmm180 -73.6 -40.59 63.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 110.25 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.272 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo . . . . . 0 N--CA 1.454 -0.844 0 N-CA-C 110.974 -0.433 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -91.95 -44.48 8.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -32.09 69.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.342 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.92 -34.67 71.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -75.88 -36.27 59.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.562 ' CD1' ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -55.83 -47.48 77.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.562 ' N ' ' CD1' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -52.86 -27.41 18.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.262 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 t -55.18 -18.94 6.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.051 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -57.82 -36.7 72.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.5 m -73.93 -36.39 45.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.92 -37.76 77.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.414 ' CG1' ' O ' ' A' ' 26' ' ' GLU . 41.5 pt -79.5 -33.75 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.519 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 17.8 m -54.1 -39.35 66.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -65.9 -48.43 71.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.08 -36.72 75.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.407 1.067 . . . . 0.0 110.37 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.605 ' CD1' ' CG ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -61.16 -41.77 97.37 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.519 ' CG2' ' O ' ' A' ' 30' ' ' SER . 82.1 t -56.49 -37.9 53.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -65.61 -26.15 67.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.246 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.487 ' CE ' HD23 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -60.18 -30.7 69.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -41.38 -25.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 111.013 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 36' ' ' LYS . 0.3 OUTLIER -54.92 -36.81 65.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.943 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.562 ' O ' ' CD1' ' A' ' 42' ' ' LEU . 1.6 t-20 -67.32 -31.19 71.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.401 ' OG ' ' CB ' ' A' ' 47' ' ' CYS . 1.4 t -58.14 -11.86 2.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.432 ' C ' ' N ' ' A' ' 43' ' ' GLY . . . -56.64 -32.77 65.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.562 ' CD1' ' O ' ' A' ' 39' ' ' ASN . 1.1 mt -42.7 -28.21 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.176 . . . . 0.0 109.243 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.586 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . 147.06 -28.36 1.55 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.557 1.161 . . . . 0.0 111.004 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.586 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER 155.69 118.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 109.576 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 7.6 p -177.64 -55.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.418 1.073 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.24 -33.95 61.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.529 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 17.7 t -57.49 -29.94 64.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.259 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.471 HG22 ' CD1' ' A' ' 49' ' ' ILE . 0.8 OUTLIER -75.58 -34.33 60.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.582 1.176 . . . . 0.0 110.395 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.471 ' CD1' HG22 ' A' ' 48' ' ' THR . 0.7 OUTLIER -75.86 -48.63 28.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.529 ' HG3' ' O ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -54.96 -31.65 60.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 47' ' ' CYS . 1.6 mm-40 -54.2 -32.42 55.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.1 tp -57.33 -53.68 55.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.605 ' CG ' ' CD1' ' A' ' 33' ' ' LEU . 10.3 mmt-85 -73.91 -34.7 64.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.811 0 N-CA-C 110.948 -0.443 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -73.52 -35.24 65.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.528 ' H ' ' CD ' ' A' ' 20' ' ' ARG . 1.4 mpt_? -59.36 -42.14 90.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.313 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.49 -40.91 79.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.462 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -77.25 -35.33 55.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 111.025 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.494 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -53.86 -45.01 70.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.123 . . . . 0.0 109.38 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.493 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 0.3 OUTLIER -52.1 -27.61 14.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.358 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.2 t -55.27 -19.11 7.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.966 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 1.5 pp20? -57.99 -27.49 63.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 34.4 m -67.04 -34.93 73.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.62 -40.81 84.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 30' ' ' SER . 11.8 pt -79.42 -33.44 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.498 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 22.3 t -53.51 -44.53 69.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.972 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 9.3 pt-20 -69.56 -40.53 76.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.256 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 35' ' ' GLN . 2.6 mm-40 -70.19 -50.81 36.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.598 1.186 . . . . 0.0 110.345 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.535 ' CD2' ' O ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -47.37 -33.85 6.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.396 1.06 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.553 ' O ' ' CD1' ' A' ' 37' ' ' TYR . 81.0 t -58.82 -38.36 72.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' GLU . 15.5 mt-30 -66.36 -23.46 66.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.432 ' C ' ' N ' ' A' ' 38' ' ' SER . 3.8 mmtp -66.84 -31.01 71.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.553 ' CD1' ' O ' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -42.29 -24.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 111.027 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.549 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -54.68 -38.59 67.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 110.019 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.485 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 2.0 m-20 -54.7 -31.49 58.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.243 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.467 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 0.9 OUTLIER -60.18 -12.8 9.52 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.473 1.108 . . . . 0.0 109.977 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.8 -45.33 90.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -42.59 -86.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.475 ' O ' ' CG ' ' A' ' 44' ' ' HIS . . . -129.8 8.58 6.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 85.54 115.3 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.423 0.719 . . . . 0.0 109.613 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.8 p -163.35 -59.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.08 . . . . 0.0 109.236 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.42 ' ND2' ' CB ' ' A' ' 39' ' ' ASN . 1.5 m-80 -58.87 -33.05 70.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.479 ' HA ' ' CG ' ' A' ' 50' ' ' LYS . 28.9 p -56.07 -32.27 63.95 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 108.3 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.478 HG21 ' CD1' ' A' ' 49' ' ' ILE . 0.7 OUTLIER -76.04 -34.8 59.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.359 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.478 ' CD1' HG21 ' A' ' 48' ' ' THR . 1.2 mp -76.0 -48.13 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.479 ' CG ' ' HA ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -55.62 -32.74 63.38 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.407 ' N ' ' CD ' ' A' ' 50' ' ' LYS . 3.4 pt-20 -54.13 -31.21 51.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.335 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 49.8 mt -57.74 -54.16 50.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.482 ' CG ' ' CD1' ' A' ' 33' ' ' LEU . 10.7 mmt-85 -73.54 -40.67 63.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.32 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 110.32 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.836 0 N-CA-C 111.008 -0.42 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -170.68 -50.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.408 ' NH1' ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -65.41 -31.04 71.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.358 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.408 ' HB1' ' NH1' ' A' ' 20' ' ' ARG . . . -58.07 -34.19 69.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.355 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.401 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.3 OUTLIER -75.54 -35.79 60.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.97 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.55 ' CD1' ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -55.58 -47.08 77.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.33 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.55 ' N ' ' CD1' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -52.77 -27.06 16.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.25 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 22' ' ' TYR . 5.2 m -54.91 -19.47 6.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -58.06 -27.52 63.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.9 t -73.69 -32.91 36.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.425 ' O ' ' CG ' ' A' ' 31' ' ' GLU . . . -70.09 -42.92 72.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.416 HG13 ' N ' ' A' ' 30' ' ' SER . 2.8 pt -68.34 -38.54 79.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.416 ' N ' HG13 ' A' ' 29' ' ' ILE . 0.4 OUTLIER -56.52 -49.59 74.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.026 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 28' ' ' ALA . 9.8 pt-20 -66.57 -35.25 79.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 35' ' ' GLN . 1.6 mt-10 -71.67 -48.61 46.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.55 ' CG ' ' HG3' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -44.58 -34.99 2.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.449 ' HA ' ' NE ' ' A' ' 53' ' ' ARG . 3.3 t -56.85 -45.31 83.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 32' ' ' GLU . 3.0 pt20 -69.0 -26.64 65.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.485 ' CG ' ' HA ' ' A' ' 33' ' ' LEU . 1.5 mmmm -60.14 -30.09 69.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.573 ' CD1' ' HD3' ' A' ' 50' ' ' LYS . 3.2 t80 -42.48 -25.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 111.064 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -60.37 -37.44 80.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.942 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.572 ' O ' ' CD1' ' A' ' 42' ' ' LEU . 2.0 m-20 -55.09 -30.9 60.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.96 -11.86 2.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.955 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.45 -33.89 66.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.572 ' CD1' ' O ' ' A' ' 39' ' ' ASN . 0.9 OUTLIER -44.86 -79.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . -145.58 15.95 1.82 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.461 1.101 . . . . 0.0 111.038 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.501 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 0.7 OUTLIER 88.92 48.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.764 . . . . 0.0 109.612 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.444 ' CG2' ' N ' ' A' ' 46' ' ' ASN . 17.5 m -88.95 -53.04 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -44.36 -27.08 0.39 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.59 1.181 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.437 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -49.45 -30.54 8.25 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.442 1.089 . . . . 0.0 108.233 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.471 ' CG2' ' N ' ' A' ' 49' ' ' ILE . 9.4 t -67.28 -51.74 49.14 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.537 1.148 . . . . 0.0 110.412 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.491 HD12 ' N ' ' A' ' 50' ' ' LYS . 1.8 pp -75.68 -26.65 18.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.348 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.573 ' HD3' ' CD1' ' A' ' 37' ' ' TYR . 6.0 mmmt -46.24 -30.58 2.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.419 1.074 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.43 -30.07 27.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.358 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.464 ' HB3' ' CD1' ' A' ' 33' ' ' LEU . 5.5 tp -57.99 -50.1 74.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.55 ' HG3' ' CG ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -53.7 -45.68 70.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 110.257 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.929 0 N-CA-C 111.093 -0.387 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -52.44 -32.2 38.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.584 1.178 . . . . 0.0 111.036 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.513 ' H ' ' CD ' ' A' ' 20' ' ' ARG . 2.5 mpt_? -71.16 -45.21 63.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.402 1.064 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.13 -40.43 77.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.416 ' O ' ' CB ' ' A' ' 25' ' ' SER . 5.9 m-85 -77.79 -35.42 51.53 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.569 1.168 . . . . 0.0 111.019 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.536 ' CD1' ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -54.54 -47.66 72.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.255 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.536 ' N ' ' CD1' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -52.62 -27.39 16.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.273 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 22' ' ' TYR . 6.0 t -55.24 -18.53 6.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -56.81 -27.7 60.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 26.8 m -73.31 -33.87 42.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.53 -39.08 93.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.518 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 6.9 pt -79.18 -36.22 18.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.56 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 22.9 t -48.85 -41.51 33.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 110.016 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.401 ' C ' HG23 ' A' ' 34' ' ' VAL . 8.1 tt0 -72.69 -35.94 67.76 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' GLN . 1.0 OUTLIER -72.08 -51.06 23.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.373 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.518 ' CD2' ' O ' ' A' ' 29' ' ' ILE . 0.5 OUTLIER -44.93 -32.44 1.62 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.56 ' CG2' ' O ' ' A' ' 30' ' ' SER . 2.3 t -61.49 -44.11 98.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' GLU . 1.8 pt20 -66.34 -26.67 67.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.331 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.437 ' C ' ' N ' ' A' ' 38' ' ' SER . 18.2 mmtt -60.68 -29.82 69.54 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -41.72 -25.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.409 1.068 . . . . 0.0 110.998 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.437 ' N ' ' C ' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -54.17 -37.06 64.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.025 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -62.59 -30.01 71.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.476 ' HB3' ' CB ' ' A' ' 47' ' ' CYS . 0.7 OUTLIER -58.02 -15.81 10.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.966 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.464 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -59.32 -43.38 92.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.579 ' CD2' ' N ' ' A' ' 43' ' ' GLY . 1.0 OUTLIER -35.77 -65.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.579 ' N ' ' CD2' ' A' ' 42' ' ' LEU . . . -166.1 27.74 0.18 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.556 1.16 . . . . 0.0 111.058 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 40' ' ' SER . 0.0 OUTLIER 70.79 72.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 0.737 . . . . 0.0 109.557 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.46 -42.12 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.428 ' O ' ' NZ ' ' A' ' 50' ' ' LYS . 1.7 m120 -80.03 -33.43 39.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.476 ' CB ' ' HB3' ' A' ' 40' ' ' SER . 4.9 t -55.8 -31.67 62.85 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.527 1.142 . . . . 0.0 108.275 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.466 HG21 ' CD1' ' A' ' 49' ' ' ILE . 1.1 t -60.4 -36.52 78.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 110.438 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.466 ' CD1' HG21 ' A' ' 48' ' ' THR . 1.3 mp -76.35 -32.56 22.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.428 ' NZ ' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -52.16 -33.15 39.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.071 . . . . 0.0 109.272 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.47 -33.37 59.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 0.0 110.258 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.9 mt -65.73 -45.56 82.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.501 ' CZ ' ' HA ' ' A' ' 53' ' ' ARG . 1.7 mmp_? -75.54 -36.25 60.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.203 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 110.969 -0.435 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -150.89 -44.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.22 -31.74 73.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.43 -44.65 89.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -62.36 -35.55 79.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.922 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.546 ' CD1' ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -55.0 -47.48 74.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.546 ' N ' ' CD1' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -52.77 -27.53 18.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 22' ' ' TYR . 7.3 t -55.2 -18.97 6.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.442 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -58.15 -38.81 77.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.484 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 35.5 m -73.68 -32.76 36.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.442 ' O ' ' CG ' ' A' ' 31' ' ' GLU . . . -62.65 -37.57 86.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.621 1.201 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.431 HG13 ' N ' ' A' ' 30' ' ' SER . 9.4 pt -79.04 -33.99 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.431 ' N ' HG13 ' A' ' 29' ' ' ILE . 47.0 t -54.45 -44.94 72.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.442 ' CG ' ' O ' ' A' ' 28' ' ' ALA . 7.3 pt-20 -67.32 -39.5 85.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.436 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 37.8 mt-10 -70.33 -36.89 74.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.478 ' CB ' ' HG3' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -61.93 -34.99 77.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.376 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.582 ' O ' ' CD1' ' A' ' 37' ' ' TYR . 57.9 t -71.26 -36.91 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -67.32 -25.92 66.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.434 ' HG3' ' ND2' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -63.58 -30.86 71.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.587 1.179 . . . . 0.0 109.266 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 34' ' ' VAL . 0.5 OUTLIER -45.18 -21.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.532 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 2.8 m -53.8 -38.55 64.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.499 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 2.4 t-20 -59.7 -29.62 68.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 p -58.17 -12.09 3.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.033 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.8 -39.36 73.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -46.35 -86.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 109.233 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . -126.95 3.83 7.4 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 4.1 t60 87.36 103.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 109.602 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -151.04 -61.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.453 1.096 . . . . 0.0 109.35 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.486 ' ND2' ' CB ' ' A' ' 39' ' ' ASN . 7.0 m-20 -54.99 -32.71 61.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.363 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 49.7 t -56.42 -31.99 64.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 108.323 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.503 HG23 ' CD1' ' A' ' 49' ' ' ILE . 0.6 OUTLIER -75.62 -32.72 60.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.354 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.575 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.7 OUTLIER -68.23 -40.8 83.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.355 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -51.71 -31.14 25.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.436 ' N ' ' HG3' ' A' ' 50' ' ' LYS . 9.3 mt-10 -53.64 -34.09 57.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.1 mp -60.59 -53.01 62.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.478 ' HG3' ' CB ' ' A' ' 33' ' ' LEU . 9.6 mmm180 -73.47 -34.26 65.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.411 1.069 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.176 . . . . 0.0 110.291 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.908 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -103.81 -35.23 8.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.521 ' H ' ' CD ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -75.29 -30.09 60.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.22 -33.62 58.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -75.5 -34.28 60.83 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.434 1.084 . . . . 0.0 110.987 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.563 ' CD1' ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -58.19 -47.38 83.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.563 ' N ' ' CD1' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -52.84 -27.14 16.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 110.272 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.3 t -54.98 -19.46 6.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.964 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 2.0 pp20? -58.3 -43.96 88.35 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.151 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.4 p -74.01 -38.72 49.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.341 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.464 ' O ' ' CG ' ' A' ' 31' ' ' GLU . . . -58.3 -38.35 76.89 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.424 HG13 ' N ' ' A' ' 30' ' ' SER . 10.9 pt -78.49 -34.4 18.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.347 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.424 ' N ' HG13 ' A' ' 29' ' ' ILE . 1.1 t -55.19 -44.78 75.63 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.597 1.185 . . . . 0.0 109.979 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' A' ' 28' ' ' ALA . 7.5 pt-20 -66.91 -39.15 87.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.431 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -70.92 -36.88 72.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.488 ' CD1' HG22 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -64.1 -54.76 28.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.621 ' O ' ' CD1' ' A' ' 37' ' ' TYR . 5.7 m -56.92 -37.51 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.425 ' N ' HG21 ' A' ' 34' ' ' VAL . 4.9 mm-40 -70.7 -26.3 63.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.349 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 38' ' ' SER . 1.2 ptmt -71.91 -28.71 63.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.621 ' CD1' ' O ' ' A' ' 34' ' ' VAL . 0.6 OUTLIER -40.86 -25.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.563 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -53.65 -34.99 60.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 110.024 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.428 ' HB3' ' CG1' ' A' ' 45' ' ' VAL . 91.5 m-20 -48.16 -30.34 4.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.4 t -56.98 -18.45 13.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.024 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -60.94 -43.66 98.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.536 ' C ' ' CD2' ' A' ' 42' ' ' LEU . 0.6 OUTLIER -38.02 -31.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.526 ' O ' ' CD2' ' A' ' 44' ' ' HIS . . . 137.74 -9.57 3.68 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.526 ' CD2' ' O ' ' A' ' 43' ' ' GLY . 2.9 m-70 167.32 105.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 109.623 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.509 ' O ' ' N ' ' A' ' 48' ' ' THR . 21.2 t -152.09 -49.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.365 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -42.44 -32.37 0.53 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.522 ' O ' ' CD ' ' A' ' 50' ' ' LYS . 5.9 t -55.58 -46.32 77.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 108.309 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 45' ' ' VAL . 1.8 m -74.94 -32.71 61.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.383 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.488 HG22 ' CD1' ' A' ' 33' ' ' LEU . 2.0 mm -56.3 -31.4 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.522 ' CD ' ' O ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -49.06 -33.33 11.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.232 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -69.85 -37.54 76.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -67.6 -58.58 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -67.79 -35.99 79.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.42 1.075 . . . . 0.0 110.275 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 50' ' ' LYS . 29.4 ptt180 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.269 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.828 0 N-CA-C 110.966 -0.436 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 179.3 -55.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.572 ' CD ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -73.5 -28.09 61.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.352 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.572 ' N ' ' CD ' ' A' ' 20' ' ' ARG . . . -58.46 -32.82 69.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.423 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -69.58 -36.46 76.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.936 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.563 ' CD1' ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -55.77 -47.41 77.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.377 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.563 ' N ' ' CD1' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -52.67 -26.98 15.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.545 1.153 . . . . 0.0 110.332 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 22' ' ' TYR . 8.1 t -54.96 -19.28 6.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.516 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 1.3 pp20? -58.07 -40.44 81.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 110.258 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.3 p -73.75 -40.99 54.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.45 -40.0 81.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.16 . . . . 0.0 109.334 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.2 pt -78.66 -33.99 17.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.4 m -54.41 -33.22 58.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -70.01 -49.69 48.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.267 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -70.95 -36.99 72.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.484 HD22 ' CA ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -50.66 -22.73 2.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.563 1.165 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 61.9 t -56.12 -38.16 52.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -58.62 -25.52 62.76 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 38' ' ' SER . 26.1 mmmt -60.25 -30.09 69.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.224 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -41.62 -26.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 36' ' ' LYS . 16.7 m -54.72 -37.24 65.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.061 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.43 ' HB3' ' CG2' ' A' ' 45' ' ' VAL . 32.6 m120 -48.5 -30.73 5.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.449 ' N ' ' OD1' ' A' ' 46' ' ' ASN . 0.3 OUTLIER -58.64 -13.84 6.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.084 . . . . 0.0 110.002 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.99 -36.6 75.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.524 ' CD1' ' N ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -98.49 -18.24 18.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 66.37 54.65 22.26 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 -139.17 -102.14 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 0.0 109.607 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 48' ' ' THR . 2.5 m -41.42 -34.63 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 40' ' ' SER . 3.6 t30 -45.06 -33.94 2.33 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -56.34 -43.77 79.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.601 1.188 . . . . 0.0 108.287 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -71.45 -35.23 70.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.356 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.469 ' CD1' HG22 ' A' ' 48' ' ' THR . 1.2 mp -58.92 -35.16 55.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -55.61 -36.36 66.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -34.12 70.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.467 ' CB ' HD23 ' A' ' 33' ' ' LEU . 25.1 mt -61.91 -56.64 17.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.514 ' CB ' ' CZ ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -77.45 -33.35 54.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.225 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 110.963 -0.437 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -116.87 -37.61 3.58 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.42 1.075 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.93 -31.47 72.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.332 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.4 -34.42 70.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -75.17 -35.91 61.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.555 ' CD2' ' N ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -55.64 -47.23 76.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.555 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -52.59 -27.74 18.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.6 t -55.39 -18.5 6.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.142 . . . . 0.0 109.949 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -57.62 -30.57 65.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.12 . . . . 0.0 110.317 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 35.2 m -74.86 -33.21 29.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.02 -39.7 75.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.419 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 3.7 pt -79.83 -30.51 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.353 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.617 ' HA ' ' CD2' ' A' ' 33' ' ' LEU . 0.8 OUTLIER -48.38 -44.78 35.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.978 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.457 ' HA ' ' CG2' ' A' ' 34' ' ' VAL . 3.4 pt-20 -71.86 -32.06 67.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 0.0 110.256 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 36' ' ' LYS . 2.7 mm-40 -70.57 -54.58 11.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.257 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.617 ' CD2' ' HA ' ' A' ' 30' ' ' SER . 1.7 pp -52.99 -56.79 13.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.606 ' O ' ' CD1' ' A' ' 37' ' ' TYR . 30.4 m -54.96 -38.23 44.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -71.25 -30.13 65.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.404 1.065 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.56 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -60.8 -29.42 69.44 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.429 1.08 . . . . 0.0 109.349 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -54.08 -18.17 3.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 111.027 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.568 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 1.6 m -58.32 -38.61 77.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.99 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.501 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 4.0 m-80 -54.89 -30.06 57.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.1 t -58.03 -13.17 4.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 0.0 110.003 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.89 -35.72 73.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -56.59 -20.83 22.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.556 ' O ' ' CG ' ' A' ' 44' ' ' HIS . . . 133.04 -32.17 2.79 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.451 1.095 . . . . 0.0 111.05 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 43' ' ' GLY . 1.1 m170 159.12 122.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.618 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.498 ' O ' ' CG2' ' A' ' 48' ' ' THR . 8.6 p -177.93 -37.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -102.3 -30.35 11.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.5 t -53.14 -30.79 38.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 108.256 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -59.84 -40.69 89.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.33 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.502 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 1.2 mp -76.74 -33.11 21.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.233 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.71 -31.48 26.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.341 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.442 ' CG ' HD21 ' A' ' 52' ' ' LEU . 8.4 pt-20 -53.15 -33.13 51.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.274 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.442 HD21 ' CG ' ' A' ' 51' ' ' GLU . 2.4 mm? -59.11 -44.9 92.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.459 ' HD3' ' N ' ' A' ' 53' ' ' ARG . 11.7 mmt180 -55.22 -38.5 68.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.128 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.415 1.072 . . . . 0.0 110.324 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 110.943 -0.445 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -172.58 -55.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.564 ' CD ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -64.39 -27.5 69.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.564 ' N ' ' CD ' ' A' ' 20' ' ' ARG . . . -57.96 -33.15 68.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.443 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -74.94 -36.5 62.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.135 . . . . 0.0 110.999 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.513 ' CD2' ' C ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -57.49 -47.75 81.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.25 -179.915 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.5 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -53.33 -27.07 21.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 t -54.98 -18.9 5.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.985 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -57.89 -27.97 63.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 34.7 m -73.43 -32.93 38.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.447 ' O ' ' HG3' ' A' ' 31' ' ' GLU . . . -64.68 -35.76 82.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 30' ' ' SER . 6.7 pt -83.14 -35.89 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.421 ' N ' HG13 ' A' ' 29' ' ' ILE . 10.7 t -67.8 -46.15 72.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.949 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.523 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -58.76 -46.55 87.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.26 -179.908 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.457 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 12.6 pt-20 -70.57 -35.8 73.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.505 ' O ' ' CD1' ' A' ' 33' ' ' LEU . 1.8 tm? -46.46 -25.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.523 ' CG2' ' O ' ' A' ' 31' ' ' GLU . 11.0 m -57.38 -37.67 58.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -58.32 -25.58 62.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.367 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.46 ' HG3' ' CD2' ' A' ' 33' ' ' LEU . 9.5 mmtt -59.58 -30.02 68.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.238 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -41.41 -25.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.437 ' N ' ' C ' ' A' ' 36' ' ' LYS . 1.6 m -54.64 -36.51 64.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.098 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.478 ' HB3' ' CG1' ' A' ' 45' ' ' VAL . 7.6 m-20 -48.4 -30.22 4.8 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.523 ' N ' ' ND2' ' A' ' 46' ' ' ASN . 30.4 t -58.75 -13.89 7.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.21 -37.25 77.01 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.433 1.083 . . . . 0.0 109.336 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.568 ' CD1' ' N ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -88.29 -39.7 14.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.31 32.97 15.14 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.414 ' C ' ' CG1' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -156.65 65.01 0.53 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.55 0.794 . . . . 0.0 109.631 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 39' ' ' ASN . 0.2 OUTLIER 173.83 -44.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.234 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.523 ' ND2' ' N ' ' A' ' 40' ' ' SER . 0.3 OUTLIER -45.4 -33.81 2.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.3 t -54.92 -41.87 71.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 108.331 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 45' ' ' VAL . 1.2 t -72.52 -34.24 67.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 110.453 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.466 ' CD1' HG23 ' A' ' 48' ' ' THR . 1.2 mp -57.64 -33.98 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 54' ' ' ARG . 3.2 mmtm -52.79 -35.74 57.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.39 -34.05 72.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.418 1.074 . . . . 0.0 110.256 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.9 mt -65.66 -57.05 9.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -72.62 -33.54 66.74 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.558 1.161 . . . . 0.0 110.292 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 110.269 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.881 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -173.23 -43.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 111.044 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.525 ' H ' ' CD ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -76.95 -31.61 56.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.38 -30.74 52.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.108 . . . . 0.0 109.254 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -66.77 -30.46 70.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 111.049 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.571 ' C ' ' CD1' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -52.86 -40.77 63.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.434 ' N ' HD11 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -53.57 -26.93 23.64 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 62.2 m -54.09 -19.58 5.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.056 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -58.67 -27.53 64.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 110.304 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.9 m -74.32 -41.1 50.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.95 -36.58 72.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.447 HG13 ' N ' ' A' ' 30' ' ' SER . 3.2 pt -79.22 -34.21 16.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.447 ' N ' HG13 ' A' ' 29' ' ' ILE . 4.4 m -54.88 -33.3 61.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -69.28 -48.25 62.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.373 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 35' ' ' GLN . 1.8 mt-10 -71.21 -37.95 72.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.487 ' CD1' HG22 ' A' ' 49' ' ' ILE . 15.5 tp -47.01 -28.02 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.479 ' O ' ' HB3' ' A' ' 37' ' ' TYR . 2.8 t -72.24 -47.78 51.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -58.8 -21.92 57.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.431 ' C ' ' N ' ' A' ' 38' ' ' SER . 8.1 mmtt -57.79 -30.38 65.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.479 ' HB3' ' O ' ' A' ' 34' ' ' VAL . 3.8 p90 -41.08 -26.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -54.61 -35.32 63.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.123 . . . . 0.0 109.937 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.42 ' CG ' ' CG2' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -47.33 -29.67 2.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 109.241 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.486 ' CA ' ' HB3' ' A' ' 46' ' ' ASN . 0.6 OUTLIER -56.4 -16.56 5.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.031 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.72 -35.92 79.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.108 . . . . 0.0 109.224 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.486 ' C ' ' CD2' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -59.61 -48.74 80.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.231 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 125.09 -0.25 8.25 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.462 1.102 . . . . 0.0 111.016 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.528 ' O ' ' CB ' ' A' ' 45' ' ' VAL . 1.3 t-160 -177.18 108.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 109.58 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.528 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 0.9 OUTLIER 161.76 -43.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.486 ' HB3' ' CA ' ' A' ' 40' ' ' SER . 2.5 p-10 -56.52 -39.33 73.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.35 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.481 ' HA ' ' CG ' ' A' ' 50' ' ' LYS . 0.5 OUTLIER -57.01 -32.63 66.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 108.252 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.25 -34.38 55.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.417 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.487 HG22 ' CD1' ' A' ' 33' ' ' LEU . 6.0 mm -76.11 -48.35 28.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.359 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.481 ' CG ' ' HA ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -53.18 -31.33 42.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -60.56 -32.87 71.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.393 1.058 . . . . 0.0 110.266 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.446 ' N ' ' HG3' ' A' ' 51' ' ' GLU . 2.7 mm? -68.15 -59.78 2.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.473 ' HB3' ' CD2' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -65.58 -33.2 75.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.044 -0.406 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -138.56 -55.28 0.62 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 0.0 110.948 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.58 ' CD ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -73.83 -27.95 61.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 110.291 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.58 ' N ' ' CD ' ' A' ' 20' ' ' ARG . . . -58.16 -32.92 68.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -73.43 -36.61 65.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.557 ' CD1' ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -55.65 -46.19 77.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.596 1.185 . . . . 0.0 109.326 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.557 ' N ' ' CD1' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -52.47 -26.98 14.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.2 m -55.03 -19.87 8.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.982 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -58.56 -27.96 65.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.8 t -73.87 -33.84 38.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.55 -49.07 51.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.561 ' O ' ' CB ' ' A' ' 33' ' ' LEU . 3.3 pt -58.98 -34.09 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.5 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 41.3 t -60.69 -51.47 69.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.017 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.425 ' O ' HG22 ' A' ' 34' ' ' VAL . 10.7 pt-20 -71.0 -38.84 72.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' GLN . 1.7 mt-10 -71.43 -50.89 27.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.561 ' CB ' ' O ' ' A' ' 29' ' ' ILE . 2.0 tm? -45.67 -25.89 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.549 ' O ' ' CD1' ' A' ' 37' ' ' TYR . 11.4 t -63.39 -44.13 98.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.26 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 32' ' ' GLU . 1.2 pp0? -68.78 -25.99 64.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.426 ' C ' ' N ' ' A' ' 38' ' ' SER . 15.2 mttt -64.59 -30.77 71.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.55 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.7 OUTLIER -42.44 -25.58 0.08 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.446 1.091 . . . . 0.0 111.061 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.55 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -54.94 -38.44 67.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 110.012 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.488 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 1.2 t-20 -59.72 -29.52 68.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 p -57.52 -15.16 6.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 109.961 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.74 -36.86 77.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.255 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -55.21 -83.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.68 21.74 3.74 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 28.4 m80 66.05 68.73 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 0.79 . . . . 0.0 109.599 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.04 -17.69 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -100.98 -32.6 10.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.2 m -55.49 -31.75 62.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 108.296 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.467 HG22 ' CD1' ' A' ' 49' ' ' ILE . 0.8 OUTLIER -60.72 -35.18 75.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.392 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.467 ' CD1' HG22 ' A' ' 48' ' ' THR . 7.2 mm -76.35 -34.66 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.458 ' CE ' ' HB3' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -53.52 -33.59 55.05 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -55.64 -35.35 65.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 110.349 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.8 mp -67.35 -51.48 51.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.444 ' HA ' ' NE ' ' A' ' 53' ' ' ARG . 10.0 mmm180 -67.03 -33.61 75.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.269 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.366 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.458 ' O ' ' C ' ' A' ' 2' ' ' ILE . 1.3 ptt85 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 1' ' ' ARG . 0.2 OUTLIER -36.42 -44.66 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.508 ' O ' ' CG1' ' A' ' 6' ' ' VAL . 0.7 OUTLIER 68.63 -58.56 0.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.7 -45.04 95.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -96.9 53.75 1.4 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.433 1.083 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.508 ' CG1' ' O ' ' A' ' 3' ' ' TYR . 5.0 m -77.6 -169.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 109.351 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.517 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 37.3 pt -74.6 -49.1 32.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.457 ' N ' HG13 ' A' ' 7' ' ' ILE . 2.6 pt20 -57.03 -25.78 59.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.489 ' O ' ' CD ' ' A' ' 12' ' ' LYS . . . -49.02 -25.35 1.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.517 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 1.7 mp -59.37 -28.54 39.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.088 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 14' ' ' ASP . 0.7 OUTLIER -48.16 -23.7 0.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 110.36 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.489 ' CD ' ' O ' ' A' ' 9' ' ' ALA . 1.5 ptmt -49.07 -31.92 8.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.247 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.0 p -62.3 -31.94 72.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.037 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 11' ' ' GLN . 2.0 t70 -73.83 -29.85 62.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -72.77 -5.89 41.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.232 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 43.53 68.76 0.77 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.533 1.146 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -42.1 154.14 0.27 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.489 0.758 . . . . 0.0 109.607 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -84.75 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.529 1.805 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 t80 179.7 -48.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.075 . . . . 0.0 110.967 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -31.25 72.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.16 -34.46 70.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -74.99 -36.15 62.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.567 ' CD1' ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -57.35 -47.29 81.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.342 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.567 ' N ' ' CD1' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -52.87 -26.99 16.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.406 1.066 . . . . 0.0 110.314 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.1 t -54.91 -19.17 6.04 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.474 1.109 . . . . 0.0 109.956 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -57.87 -27.98 63.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.03 -33.97 37.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.569 1.168 . . . . 0.0 109.35 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.48 -49.26 50.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.424 HG13 ' N ' ' A' ' 30' ' ' SER . 3.1 pt -58.42 -39.55 75.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.424 ' N ' HG13 ' A' ' 29' ' ' ILE . 68.2 m -54.68 -40.45 69.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.44 1.087 . . . . 0.0 109.98 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.479 ' CA ' ' OE1' ' A' ' 31' ' ' GLU . 2.0 tp10 -69.22 -41.85 76.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 35' ' ' GLN . 2.0 tt0 -69.69 -44.0 71.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.246 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.472 HD23 ' CD ' ' A' ' 53' ' ' ARG . 2.6 tp -46.06 -49.34 16.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.455 ' O ' ' HB3' ' A' ' 37' ' ' TYR . 3.4 t -62.44 -35.4 69.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 32' ' ' GLU . 12.2 mt-30 -70.91 -24.14 62.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 38' ' ' SER . 44.1 mmtt -58.81 -28.91 66.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.455 ' HB3' ' O ' ' A' ' 34' ' ' VAL . 3.4 p90 -40.33 -27.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' LYS . 0.3 OUTLIER -54.57 -38.68 66.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.984 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.58 -30.78 71.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.358 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.09 -13.04 5.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.17 -34.72 70.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.432 ' N ' ' CD1' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -80.45 53.11 1.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.616 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . 87.37 -57.53 4.5 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.43 1.081 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.616 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 0.9 OUTLIER 153.18 133.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 0.739 . . . . 0.0 109.556 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.464 ' CG2' ' C ' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -168.06 -60.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -71.39 -31.95 67.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 12.2 t -55.32 -30.81 60.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.107 . . . . 0.0 108.273 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.457 ' CG2' HD11 ' A' ' 49' ' ' ILE . 0.7 OUTLIER -59.9 -34.58 73.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.457 HD11 ' CG2' ' A' ' 48' ' ' THR . 1.3 mp -73.4 -33.31 39.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -52.25 -31.82 34.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -52.63 -30.13 29.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.6 mt -57.22 -54.26 48.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.472 ' CD ' HD23 ' A' ' 33' ' ' LEU . 15.8 mmm180 -56.48 -38.62 71.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 110.326 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.501 ' C ' ' CD ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 1' ' ' ARG . 6.1 mt -40.2 -85.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.172 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 179.26 -35.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -69.26 -22.22 63.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 86.11 39.71 7.83 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.477 1.11 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.4 t -53.19 155.26 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.751 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.507 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 41.4 pt -78.2 -48.6 22.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.572 1.17 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.464 ' N ' HG13 ' A' ' 7' ' ' ILE . 3.3 pt20 -59.13 -25.31 63.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.243 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.479 ' O ' ' CD ' ' A' ' 12' ' ' LYS . . . -50.5 -25.37 3.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.107 . . . . 0.0 109.336 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.507 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 2.3 mp -63.15 -26.05 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -48.4 -23.59 0.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 110.215 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.479 ' CD ' ' O ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -49.09 -31.57 8.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.345 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.5 m -63.07 -30.31 71.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.981 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -73.93 -29.87 62.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.508 ' HB3' ' CE1' ' A' ' 17' ' ' HIS . 1.4 mm-40 -63.19 -51.56 65.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 110.357 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.39 -51.97 4.27 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.136 . . . . 0.0 110.968 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.508 ' CE1' ' HB3' ' A' ' 15' ' ' GLU . 75.2 m-70 62.34 153.65 0.11 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 0.765 . . . . 0.0 109.585 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -83.54 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.484 1.781 . . . . 0.0 110.962 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 t80 178.99 -49.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -31.39 72.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.22 -34.31 70.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -75.04 -35.98 61.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.415 1.072 . . . . 0.0 110.942 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.561 ' CD1' ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -56.81 -47.51 80.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.561 ' N ' ' CD1' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -52.92 -27.46 18.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.27 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 t -55.15 -19.0 6.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.505 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -57.99 -31.1 66.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 110.288 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.5 m -73.84 -34.26 39.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.2 -36.0 82.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.518 ' O ' ' CB ' ' A' ' 33' ' ' LEU . 5.2 pt -81.48 -34.58 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.428 ' N ' HG13 ' A' ' 29' ' ' ILE . 53.2 m -65.4 -46.49 79.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.987 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 12.5 pt-20 -60.69 -49.44 77.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.546 1.154 . . . . 0.0 110.25 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 8.6 pt-20 -71.25 -36.65 71.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.518 ' CB ' ' O ' ' A' ' 29' ' ' ILE . 2.6 tp -53.1 -22.85 6.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.484 ' O ' ' HB3' ' A' ' 37' ' ' TYR . 79.1 t -56.83 -37.1 52.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.414 1.071 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -61.67 -22.33 65.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 110.272 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.488 ' HG3' ' CD1' ' A' ' 33' ' ' LEU . 2.2 mmpt? -58.36 -30.61 66.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.484 ' HB3' ' O ' ' A' ' 34' ' ' VAL . 3.3 p90 -40.67 -27.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -55.21 -37.89 67.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.998 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.478 ' O ' HD13 ' A' ' 42' ' ' LEU . 11.5 m-20 -63.55 -29.95 71.14 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.413 1.07 . . . . 0.0 109.23 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.36 -10.19 1.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.059 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.407 ' H ' ' C ' ' A' ' 39' ' ' ASN . . . -54.35 -33.96 60.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.478 HD13 ' O ' ' A' ' 39' ' ' ASN . 0.8 OUTLIER -96.07 -24.77 16.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 71.39 54.81 8.32 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -138.41 -91.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 0.743 . . . . 0.0 109.561 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 48' ' ' THR . 3.5 p -50.63 -47.98 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -47.35 -32.75 5.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.524 ' O ' ' CD ' ' A' ' 50' ' ' LYS . 1.0 OUTLIER -55.95 -37.13 68.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 108.288 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 45' ' ' VAL . 1.0 OUTLIER -73.96 -33.32 63.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.399 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.504 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.9 OUTLIER -56.45 -34.15 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.249 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.524 ' CD ' ' O ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -50.93 -34.18 27.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -70.18 -34.46 72.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.437 ' CD1' HD22 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -67.12 -57.86 5.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.42 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.431 ' HB3' ' CD2' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -71.46 -33.39 69.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.561 1.163 . . . . 0.0 110.209 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.462 ' CZ ' HG22 ' A' ' 6' ' ' VAL . 4.5 tpt180 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.549 ' O ' ' CD2' ' A' ' 3' ' ' TYR . 3.2 pt -71.53 -52.03 28.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.549 ' CD2' ' O ' ' A' ' 2' ' ' ILE . 0.3 OUTLIER 166.22 -29.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.074 . . . . 0.0 111.02 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -110.46 -22.18 11.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.52 74.57 2.34 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.462 HG22 ' CZ ' ' A' ' 1' ' ' ARG . 2.8 p -131.25 -152.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 0.794 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.48 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 5.3 mt -46.33 -35.15 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.458 ' C ' ' N ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -52.78 -23.72 7.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.436 ' N ' ' HG3' ' A' ' 8' ' ' GLN . . . -41.44 -28.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.233 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.48 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.9 OUTLIER -47.97 -23.2 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -44.64 -28.0 0.55 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.364 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -48.08 -32.06 6.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.359 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.426 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 19.1 m -65.54 -32.09 73.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.066 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 11' ' ' GLN . 0.3 OUTLIER -70.49 -29.4 65.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.162 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.402 ' O ' ' CD ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -75.16 -1.95 25.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.274 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.52 ' O ' ' CB ' ' A' ' 17' ' ' HIS . . . -51.55 -96.69 0.01 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.52 ' CB ' ' O ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER 160.69 -51.4 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 0.0 109.637 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 18.4 Cg_endo -74.95 164.92 32.46 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.385 1.729 . . . . 0.0 111.039 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.88 -34.3 3.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.547 ' H ' ' CD ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -75.5 -29.43 59.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.252 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.5 -32.64 51.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.405 ' OH ' ' O ' ' A' ' 13' ' ' SER . 38.2 m-85 -60.9 -34.73 75.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.54 ' CD1' ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -64.9 -47.54 77.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.54 ' N ' ' CD1' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -52.81 -27.07 16.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.4 m -54.99 -19.63 7.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.994 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -58.39 -42.85 88.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.213 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 p -74.13 -37.22 46.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.92 -38.35 82.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.352 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 24.8 pt -78.88 -33.27 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.471 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 15.1 t -53.63 -45.45 70.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 110.014 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -70.32 -38.55 74.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -70.02 -51.19 34.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.078 . . . . 0.0 110.29 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.485 ' CD2' HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -47.01 -34.78 5.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.382 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.485 HG21 ' CD2' ' A' ' 33' ' ' LEU . 45.3 t -65.64 -39.47 85.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' GLU . 6.2 mm100 -69.54 -23.97 63.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.416 ' C ' ' N ' ' A' ' 38' ' ' SER . 8.6 mmtt -59.25 -31.28 68.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.42 ' HB3' ' O ' ' A' ' 34' ' ' VAL . 2.0 p90 -41.82 -26.82 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.416 ' N ' ' C ' ' A' ' 36' ' ' LYS . 68.5 p -58.27 -40.58 82.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 110.028 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.493 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 4.4 m-20 -76.29 -31.24 58.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.233 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.2 p -60.09 -12.63 8.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 109.985 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -58.52 -44.36 89.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.343 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -39.57 -88.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.56 10.12 6.44 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.523 1.14 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.587 ' CE1' ' SG ' ' A' ' 47' ' ' CYS . 0.2 OUTLIER 79.65 102.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 0.739 . . . . 0.0 109.615 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.45 -46.81 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.168 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.415 ' ND2' ' CB ' ' A' ' 39' ' ' ASN . 38.6 m-80 -75.2 -32.74 61.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.132 . . . . 0.0 109.241 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.587 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 0.9 OUTLIER -55.49 -31.03 61.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 108.321 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.486 HG21 ' CD1' ' A' ' 49' ' ' ILE . 0.9 OUTLIER -60.45 -34.86 74.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.486 ' CD1' HG21 ' A' ' 48' ' ' THR . 6.2 mm -75.82 -34.31 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 109.321 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -53.58 -31.62 47.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.295 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -53.6 -33.88 56.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.63 -49.51 77.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.378 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.458 ' CG ' HD23 ' A' ' 33' ' ' LEU . 16.1 mmm180 -70.5 -42.92 70.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.395 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.54 ' O ' ' CB ' ' A' ' 3' ' ' TYR . 30.4 pt -66.49 -32.0 56.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.54 ' CB ' ' O ' ' A' ' 2' ' ' ILE . 0.1 OUTLIER 75.73 -51.46 0.63 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 3' ' ' TYR . 0.3 OUTLIER -37.2 -58.28 0.82 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -171.42 64.17 0.15 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.453 1.096 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.439 HG23 ' CG1' ' A' ' 2' ' ' ILE . 2.5 t -48.6 168.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.491 0.759 . . . . 0.0 109.218 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.483 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 44.0 pt -78.66 -47.74 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.462 ' N ' HG13 ' A' ' 7' ' ' ILE . 2.6 pt20 -63.74 -26.02 68.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' A' ' 12' ' ' LYS . . . -42.27 -28.45 0.2 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.483 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.7 OUTLIER -48.52 -23.16 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 14' ' ' ASP . 4.8 pt20 -45.19 -28.28 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.429 ' HD3' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -46.36 -31.98 2.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.429 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -59.17 -36.65 75.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.979 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 11' ' ' GLN . 25.6 t0 -61.28 -29.76 70.06 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.387 1.055 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -76.89 -6.85 54.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -168.11 88.89 0.1 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.441 1.088 . . . . 0.0 111.05 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -159.9 156.62 24.48 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.77 . . . . 0.0 109.639 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 179.73 5.8 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.549 1.815 . . . . 0.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -119.34 -35.65 3.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.86 -32.19 67.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.339 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.56 -35.76 72.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.411 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.1 OUTLIER -70.88 -35.43 72.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 110.998 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.406 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -54.85 -47.42 74.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.475 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 0.3 OUTLIER -52.91 -27.37 18.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.357 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 22' ' ' TYR . 1.6 t -55.46 -18.89 7.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.406 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 10.6 pt-20 -58.17 -46.2 86.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.475 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 5.9 m -74.18 -34.69 38.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.46 -38.86 91.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.1 pt -78.22 -34.0 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 t -56.23 -33.72 65.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.004 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.532 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 6.7 tp10 -69.23 -45.38 69.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.127 . . . . 0.0 110.268 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -71.96 -36.09 69.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.521 HD13 ' CD ' ' A' ' 53' ' ' ARG . 0.5 OUTLIER -47.26 -31.14 3.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.566 1.166 . . . . 0.0 109.397 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' A' ' 31' ' ' GLU . 6.4 m -52.37 -37.41 23.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -57.49 -25.96 60.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.412 1.07 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.475 ' CD ' HD21 ' A' ' 33' ' ' LEU . 14.4 mttt -61.69 -25.53 67.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -38.89 -27.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 36' ' ' LYS . 0.3 OUTLIER -53.71 -37.67 63.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.024 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.498 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 65.7 m-20 -52.62 -29.13 24.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.445 ' HA ' ' CB ' ' A' ' 46' ' ' ASN . 3.0 t -56.92 -14.6 3.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.78 -35.55 72.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 39' ' ' ASN . 0.6 OUTLIER -96.38 -27.52 14.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.264 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.64 37.9 77.52 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.57 1.169 . . . . 0.0 110.935 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.461 ' CB ' HD12 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -119.88 -80.12 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.62 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.516 ' O ' ' N ' ' A' ' 48' ' ' THR . 4.1 m -63.91 -37.47 79.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.445 ' CB ' ' HA ' ' A' ' 40' ' ' SER . 10.5 t-20 -43.95 -33.65 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -55.72 -41.24 73.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 0.0 108.262 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -75.5 -34.13 60.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.45 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.471 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.9 OUTLIER -57.66 -41.59 79.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -51.62 -35.29 41.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.075 . . . . 0.0 109.239 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.436 ' N ' ' HG3' ' A' ' 50' ' ' LYS . 23.7 mt-10 -68.55 -40.14 80.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 110.193 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.476 HD23 ' CD2' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -67.89 -47.49 68.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.236 -179.884 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.521 ' CD ' HD13 ' A' ' 33' ' ' LEU . 33.0 mmm-85 -54.55 -45.72 73.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.443 1.089 . . . . 0.0 110.317 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.462 ' O ' ' C ' ' A' ' 2' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.53 ' O ' ' CD2' ' A' ' 3' ' ' TYR . 1.1 pt 36.09 -145.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.53 ' CD2' ' O ' ' A' ' 2' ' ' ILE . 0.4 OUTLIER 166.9 -35.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.0 -34.43 9.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.386 1.054 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.45 33.21 4.19 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.557 1.161 . . . . 0.0 111.044 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.474 ' CG1' ' O ' ' A' ' 3' ' ' TYR . 1.9 p -114.29 -158.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.419 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 27.2 pt -105.9 -46.95 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.465 ' C ' ' N ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -56.87 -24.44 51.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.23 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.476 ' O ' ' HG3' ' A' ' 12' ' ' LYS . . . -42.29 -26.5 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.416 1.073 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.465 ' N ' ' C ' ' A' ' 8' ' ' GLN . 27.4 pt -45.92 -23.01 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 14' ' ' ASP . 5.1 pt20 -44.22 -26.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.49 ' CD ' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -46.97 -30.27 2.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.572 1.17 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.49 ' N ' ' CD ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -59.59 -34.13 72.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.029 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -73.9 -29.63 62.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -73.06 -10.41 59.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.35 54.93 0.78 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.467 1.104 . . . . 0.0 111.031 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.47 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -64.37 -54.4 38.47 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.639 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 18.4 Cg_endo -75.02 150.73 38.49 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.511 1.795 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -65.47 -35.88 82.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 111.051 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.6 -31.73 72.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 110.238 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.16 -44.27 87.85 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.5 1.125 . . . . 0.0 109.216 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.42 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -62.62 -35.21 78.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 111.001 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.499 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -54.81 -47.73 73.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.89 -27.22 17.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 22' ' ' TYR . 7.3 t -54.88 -19.83 7.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.117 . . . . 0.0 110.008 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -58.46 -27.99 64.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.0 t -73.8 -33.79 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.48 -48.82 53.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.428 HG13 ' N ' ' A' ' 30' ' ' SER . 3.0 pt -59.33 -39.67 79.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.428 ' N ' HG13 ' A' ' 29' ' ' ILE . 73.5 m -55.1 -43.55 74.14 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 110.019 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -69.32 -37.8 77.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 35' ' ' GLN . 71.0 mm-40 -70.73 -44.6 66.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.527 ' CD2' ' HA ' ' A' ' 50' ' ' LYS . 12.5 tp -47.19 -32.6 4.54 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.476 ' O ' ' HB3' ' A' ' 37' ' ' TYR . 11.5 t -55.78 -35.96 41.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.5 ' CG ' ' O ' ' A' ' 32' ' ' GLU . 1.2 pp0? -62.03 -23.07 66.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.42 ' C ' ' N ' ' A' ' 38' ' ' SER . 30.7 mmtt -60.15 -32.29 70.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.476 ' HB3' ' O ' ' A' ' 34' ' ' VAL . 1.6 p90 -42.38 -25.58 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.42 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -54.69 -36.66 64.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 110.012 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -49.16 -30.14 6.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.75 -15.88 9.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 110.02 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.9 -36.33 83.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.473 ' CD1' ' N ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -75.72 -73.16 0.27 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -168.73 32.32 0.18 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.497 ' CE1' HG23 ' A' ' 48' ' ' THR . 0.2 OUTLIER 72.47 113.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 0.793 . . . . 0.0 109.566 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.421 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 5.9 p -165.61 30.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 179.79 -33.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.495 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 2.1 t -54.85 -28.71 51.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 108.31 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.497 HG23 ' CE1' ' A' ' 44' ' ' HIS . 0.3 OUTLIER -70.92 -34.91 71.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.423 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.475 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.9 OUTLIER -78.05 -48.14 23.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.527 ' HA ' ' CD2' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -54.39 -34.61 61.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -55.43 -32.35 62.65 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.526 1.142 . . . . 0.0 110.256 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.5 tp -58.88 -54.37 47.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.364 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.501 ' CG ' ' CD2' ' A' ' 33' ' ' LEU . 31.0 mmt180 -71.39 -33.62 69.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.344 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.436 ' HB3' ' NH1' ' A' ' 1' ' ' ARG . 1.1 tmm_? . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.4 pp -58.9 -178.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 109.309 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -148.35 -44.4 0.15 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.471 1.107 . . . . 0.0 111.059 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -99.57 -24.8 14.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 9' ' ' ALA . . . 136.28 -42.23 1.34 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.58 1.175 . . . . 0.0 110.988 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.559 ' CG1' ' N ' ' A' ' 7' ' ' ILE . 1.7 t 71.39 167.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 0.0 109.251 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.559 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 42.3 pt -80.38 -47.31 21.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.477 ' HG3' ' N ' ' A' ' 9' ' ' ALA . 0.6 OUTLIER -49.26 -25.0 2.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 5' ' ' GLY . . . -57.86 -27.9 63.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.08 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 3.2 mp -69.77 -23.18 25.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.405 ' OE1' ' OE1' ' A' ' 8' ' ' GLN . 8.2 pt20 -47.34 -23.08 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.409 ' N ' ' C ' ' A' ' 10' ' ' ILE . 1.0 OUTLIER -47.15 -31.51 3.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.247 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.33 -34.58 72.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.028 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.461 ' O ' ' CD ' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -73.96 -29.87 62.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.426 ' HA ' ' CB ' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -76.17 -2.82 33.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.301 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.9 62.66 0.4 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.515 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -178.44 -59.41 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 109.581 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.515 ' HD3' ' CB ' ' A' ' 17' ' ' HIS . 18.2 Cg_endo -75.01 142.27 27.62 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -74.69 -35.45 62.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -31.68 72.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.107 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.426 ' CB ' ' HA ' ' A' ' 15' ' ' GLU . . . -58.1 -42.59 86.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.412 ' O ' ' CB ' ' A' ' 25' ' ' SER . 3.9 m-85 -64.44 -35.39 80.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.493 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -54.98 -47.54 74.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.437 1.086 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.96 -27.2 17.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.36 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 22' ' ' TYR . 4.1 t -54.91 -19.73 7.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -58.47 -27.88 64.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.364 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.3 m -74.02 -35.18 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.66 -34.53 78.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.426 HG13 ' N ' ' A' ' 30' ' ' SER . 1.9 pt -79.74 -35.63 16.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.426 ' N ' HG13 ' A' ' 29' ' ' ILE . 8.9 t -54.1 -52.41 61.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.405 1.065 . . . . 0.0 110.027 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -35.64 75.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.52 -50.37 69.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.478 ' HG ' ' CZ ' ' A' ' 53' ' ' ARG . 1.7 tm? -52.1 -42.61 63.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.414 ' CG2' ' O ' ' A' ' 30' ' ' SER . 12.0 t -58.52 -38.13 68.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.449 1.093 . . . . 0.0 109.347 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -63.65 -26.25 68.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.353 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -65.01 -31.22 72.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -41.35 -27.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.2 t -55.38 -38.71 69.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.042 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.492 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 5.8 t30 -69.43 -30.79 68.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.1 p -58.26 -15.63 10.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 110.024 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.52 -39.55 91.43 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -53.86 -83.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -129.71 22.47 4.89 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.443 1.089 . . . . 0.0 110.967 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 65.63 44.73 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 0.794 . . . . 0.0 109.6 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.2 m -77.99 -19.61 13.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.349 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.437 ' OD1' ' CB ' ' A' ' 39' ' ' ASN . 0.6 OUTLIER -95.5 -32.24 12.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.365 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.61 -30.61 61.2 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 1.128 . . . . 0.0 108.307 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.519 ' CG2' ' N ' ' A' ' 49' ' ' ILE . 1.3 t -66.25 -52.28 49.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.423 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.519 ' N ' ' CG2' ' A' ' 48' ' ' THR . 1.9 pp -71.74 -30.05 36.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 0.0 109.371 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.493 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 1.4 mtpm? -49.51 -30.0 7.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.203 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -52.39 -30.49 29.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.71 -56.83 16.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.478 ' CZ ' ' HG ' ' A' ' 33' ' ' LEU . 86.6 mmt-85 -59.32 -41.77 89.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 110.263 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.23 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 pp -53.93 163.91 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -152.28 20.86 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.66 10.41 7.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.253 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -64.19 -10.03 38.84 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.42 HG11 ' N ' ' A' ' 7' ' ' ILE . 38.2 t -85.18 136.73 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 0.742 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.444 ' CG1' ' N ' ' A' ' 8' ' ' GLN . 1.8 pt -81.35 -48.5 18.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.444 ' N ' ' CG1' ' A' ' 7' ' ' ILE . 1.9 mt-30 -56.57 -26.17 54.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.405 ' C ' ' N ' ' A' ' 11' ' ' GLN . . . -41.93 -27.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.435 ' N ' ' C ' ' A' ' 8' ' ' GLN . 2.6 mt -48.24 -23.15 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -46.78 -22.73 0.33 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.418 ' N ' ' C ' ' A' ' 10' ' ' ILE . 4.4 ptpt -45.58 -31.98 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 0.0 109.36 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 p -59.02 -36.02 74.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.986 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 11' ' ' GLN . 1.6 t0 -72.68 -29.83 63.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -64.76 -14.09 57.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.09 60.21 8.34 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -49.61 159.79 0.66 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.522 0.777 . . . . 0.0 109.592 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -179.31 4.87 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -85.75 -35.59 20.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.55 -31.79 68.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.51 -35.74 72.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.407 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.1 OUTLIER -74.26 -35.54 63.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.559 ' CD1' ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -54.98 -47.6 74.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.559 ' N ' ' CD1' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -52.79 -27.1 16.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.344 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.494 ' O ' ' CG2' ' A' ' 29' ' ' ILE . 7.9 t -55.13 -19.5 7.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.075 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 2.1 pp20? -58.16 -43.51 87.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.28 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.3 p -74.33 -35.09 38.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.569 1.168 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.87 -38.2 88.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.247 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.494 ' CG2' ' O ' ' A' ' 25' ' ' SER . 6.3 pt -78.76 -33.64 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.55 ' O ' ' CG1' ' A' ' 34' ' ' VAL . 3.4 t -52.77 -52.95 54.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.396 1.06 . . . . 0.0 110.004 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.473 ' HA ' ' CG2' ' A' ' 34' ' ' VAL . 8.2 tt0 -60.83 -35.06 75.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.42 ' O ' ' CG ' ' A' ' 35' ' ' GLN . 0.5 OUTLIER -73.53 -30.75 63.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.309 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.483 HD23 ' CD ' ' A' ' 36' ' ' LYS . 2.1 tm? -83.43 -49.67 9.07 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.55 ' CG1' ' O ' ' A' ' 30' ' ' SER . 5.0 m -54.78 -41.78 58.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.421 ' HG3' ' N ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -57.8 -22.67 48.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.483 ' CD ' HD23 ' A' ' 33' ' ' LEU . 2.0 mtpt -64.55 -31.67 72.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.545 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.8 OUTLIER -42.05 -26.2 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.545 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 98.0 p -56.68 -36.56 69.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.023 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.515 ' CB ' ' CG1' ' A' ' 45' ' ' VAL . 2.0 m-20 -56.75 -28.64 61.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.01 -16.74 7.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.21 -35.2 77.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.41 1.069 . . . . 0.0 109.238 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.437 ' CD1' ' N ' ' A' ' 42' ' ' LEU . 4.7 mp -56.71 -85.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.54 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . -129.99 4.95 6.07 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.456 1.097 . . . . 0.0 111.066 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.54 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 1.5 t60 90.33 63.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 0.746 . . . . 0.0 109.567 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 48' ' ' THR . 12.5 p -86.55 -19.43 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 45' ' ' VAL . 3.0 t-20 -39.93 -30.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.431 ' N ' ' C ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -51.67 -43.97 62.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 108.34 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.535 ' N ' ' O ' ' A' ' 45' ' ' VAL . 1.1 t -70.7 -34.66 72.19 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 0.0 110.352 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.472 ' CD1' HG23 ' A' ' 48' ' ' THR . 1.3 mp -63.57 -32.41 56.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.472 ' HA ' ' CD ' ' A' ' 53' ' ' ARG . 22.9 mtpt -50.93 -34.39 28.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.96 -35.28 80.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.279 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -68.57 -58.48 4.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.472 ' CD ' ' HA ' ' A' ' 50' ' ' LYS . 1.1 ptm180 -65.49 -33.39 75.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.508 ' O ' ' CB ' ' A' ' 3' ' ' TYR . 3.9 mp -92.61 -70.65 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.508 ' CB ' ' O ' ' A' ' 2' ' ' ILE . 5.0 t80 73.82 -51.23 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -37.44 -32.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 9' ' ' ALA . . . 154.37 -32.22 0.71 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.141 . . . . 0.0 111.029 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.47 ' CG2' ' C ' ' A' ' 5' ' ' GLY . 1.8 t 75.52 -139.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 0.743 . . . . 0.0 109.281 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.496 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 1.3 pt -104.06 -48.58 9.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -56.84 -26.23 57.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 5' ' ' GLY . . . -44.17 -30.31 0.76 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.9 OUTLIER -48.76 -23.21 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -44.96 -27.79 0.58 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.256 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.431 ' HD3' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -46.92 -31.79 3.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.431 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 4.0 p -63.85 -35.7 81.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.602 1.189 . . . . 0.0 110.035 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 11' ' ' GLN . 86.1 m-20 -74.5 -37.26 63.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.76 -5.07 59.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.329 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.458 ' O ' ' CB ' ' A' ' 17' ' ' HIS . . . -52.17 -90.49 0.01 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.484 1.115 . . . . 0.0 111.073 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.458 ' CB ' ' O ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER 165.63 -56.65 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.432 0.724 . . . . 0.0 109.607 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.448 ' HD3' ' CB ' ' A' ' 17' ' ' HIS . 18.4 Cg_endo -74.94 -162.69 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.555 1.818 . . . . 0.0 111.038 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -175.75 -37.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.43 ' CD ' ' H ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -75.06 -46.19 36.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.248 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.51 -34.29 66.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.408 ' O ' ' CB ' ' A' ' 25' ' ' SER . 7.2 m-85 -76.56 -34.73 58.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.433 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -55.19 -47.83 74.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.472 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 0.2 OUTLIER -53.25 -27.2 21.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 22' ' ' TYR . 2.4 t -54.88 -19.15 5.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.024 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 8.3 pt-20 -58.67 -45.24 89.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.231 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 17.2 m -73.43 -34.18 42.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.07 -38.17 87.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.3 pt -78.42 -33.73 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.439 ' O ' ' CG1' ' A' ' 34' ' ' VAL . 11.4 m -54.13 -32.8 56.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.976 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.406 ' O ' HG22 ' A' ' 34' ' ' VAL . 14.1 tt0 -69.48 -49.16 57.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -72.4 -45.99 57.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.48 ' CD1' ' HB3' ' A' ' 53' ' ' ARG . 0.5 OUTLIER -47.41 -58.67 3.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.439 ' CG1' ' O ' ' A' ' 30' ' ' SER . 11.5 m -56.3 -37.67 51.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.431 ' N ' HG23 ' A' ' 34' ' ' VAL . 6.5 mm100 -62.6 -26.23 68.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.418 ' C ' ' N ' ' A' ' 38' ' ' SER . 7.8 mttt -60.9 -30.21 70.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -41.19 -27.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 110.998 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 36' ' ' LYS . 0.2 OUTLIER -55.6 -37.26 67.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.414 1.071 . . . . 0.0 109.987 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.497 ' HB3' ' CG1' ' A' ' 45' ' ' VAL . 16.3 m-20 -52.59 -30.7 32.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.492 ' N ' ' ND2' ' A' ' 46' ' ' ASN . 0.3 OUTLIER -59.12 -13.71 7.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.011 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.55 -36.89 74.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.498 HD13 ' CB ' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -97.94 -31.77 12.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.18 -0.76 89.56 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.552 1.158 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.498 ' CB ' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -107.82 60.99 0.61 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 0.774 . . . . 0.0 109.521 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.497 ' CG1' ' HB3' ' A' ' 39' ' ' ASN . 0.2 OUTLIER 170.44 -45.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.492 ' ND2' ' N ' ' A' ' 40' ' ' SER . 0.4 OUTLIER -45.53 -33.75 2.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.574 1.171 . . . . 0.0 109.32 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.543 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 1.2 m -57.1 -43.71 82.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 108.359 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 45' ' ' VAL . 0.9 OUTLIER -74.1 -34.24 63.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.392 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.454 HD11 ' N ' ' A' ' 49' ' ' ILE . 2.9 mm -57.89 -32.89 44.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.382 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.543 ' CG ' ' O ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -50.69 -35.73 32.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.33 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -66.83 -36.96 83.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.3 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 49.4 mt -67.35 -56.81 8.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.48 ' HB3' ' CD1' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -66.85 -33.6 75.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 110.27 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 50' ' ' LYS . 34.2 ptt180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 pp -52.8 142.79 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -133.58 35.45 3.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 43.24 32.36 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -148.63 18.64 1.28 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.4 m -58.05 -164.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 0.753 . . . . 0.0 109.219 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.463 HG13 ' N ' ' A' ' 8' ' ' GLN . 37.2 pt -82.25 -48.77 17.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.08 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.463 ' N ' HG13 ' A' ' 7' ' ' ILE . 2.4 pt20 -57.05 -24.56 54.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.417 ' N ' ' HG3' ' A' ' 8' ' ' GLN . . . -41.47 -28.5 0.13 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.442 ' N ' ' C ' ' A' ' 8' ' ' GLN . 0.6 OUTLIER -47.88 -23.26 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.557 1.161 . . . . 0.0 109.261 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 14' ' ' ASP . 0.2 OUTLIER -46.98 -20.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.341 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.43 ' N ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -45.34 -31.82 1.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.89 -34.77 72.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.982 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 11' ' ' GLN . 17.4 m-20 -71.72 -29.61 64.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 16' ' ' GLY . 2.0 mt-10 -60.52 -49.91 75.64 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' GLU . . . 36.01 80.66 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.932 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.531 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -177.39 -60.03 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.456 0.739 . . . . 0.0 109.627 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.531 ' HD3' ' CB ' ' A' ' 17' ' ' HIS . 18.3 Cg_endo -74.99 135.98 19.81 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.43 ' O ' ' HB3' ' A' ' 22' ' ' TYR . 0.7 OUTLIER -84.05 -54.42 4.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.421 1.076 . . . . 0.0 111.022 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.533 ' CD ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -56.63 -27.49 58.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.533 ' N ' ' CD ' ' A' ' 20' ' ' ARG . . . -58.37 -34.54 70.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.431 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -76.28 -36.46 58.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 111.024 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.509 ' CD2' ' N ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -55.82 -47.3 77.42 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.478 1.111 . . . . 0.0 109.225 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.509 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -52.39 -27.25 14.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.29 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 22' ' ' TYR . 4.6 t -55.1 -19.17 6.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 110.047 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 6.5 pt-20 -58.28 -41.92 85.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.3 p -74.01 -36.89 46.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.42 -37.48 78.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.416 HG13 ' N ' ' A' ' 30' ' ' SER . 8.9 pt -79.23 -33.8 15.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.416 ' N ' HG13 ' A' ' 29' ' ' ILE . 3.7 p -54.16 -45.61 72.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.996 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -64.86 -35.65 81.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 110.345 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.435 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -73.98 -52.01 14.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.468 ' HG ' ' CG ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -49.79 -52.22 33.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.464 HG22 ' N ' ' A' ' 35' ' ' GLN . 16.5 m -55.1 -35.02 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.464 ' N ' HG22 ' A' ' 34' ' ' VAL . 9.9 mt-30 -69.19 -24.57 64.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.428 ' C ' ' N ' ' A' ' 38' ' ' SER . 1.0 OUTLIER -60.92 -31.92 71.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 38' ' ' SER . 1.4 p90 -41.91 -26.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.162 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.447 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 2.9 m -55.14 -37.54 67.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 0.0 110.008 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.556 ' O ' ' CD1' ' A' ' 42' ' ' LEU . 4.8 m-20 -71.41 -29.81 65.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 37' ' ' TYR . 8.7 p -57.68 -11.53 2.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.971 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.47 -34.58 64.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.258 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.556 ' CD1' ' O ' ' A' ' 39' ' ' ASN . 1.0 OUTLIER -41.62 -78.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.47 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . -149.34 18.28 1.17 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.485 1.116 . . . . 0.0 111.027 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.548 ' CD2' ' HB3' ' A' ' 47' ' ' CYS . 2.1 t60 86.22 105.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 109.602 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 46' ' ' ASN . 12.4 p -153.0 -54.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.406 ' N ' HG13 ' A' ' 45' ' ' VAL . 1.7 m-80 -68.04 -33.13 74.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.273 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.548 ' HB3' ' CD2' ' A' ' 44' ' ' HIS . 27.1 t -56.28 -29.68 61.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 108.279 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.48 HG21 ' CD1' ' A' ' 49' ' ' ILE . 0.8 OUTLIER -75.92 -34.24 59.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 110.398 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.571 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.6 OUTLIER -72.65 -38.88 59.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.238 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.518 ' HG3' ' O ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -51.47 -32.85 28.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.473 ' N ' ' HG3' ' A' ' 50' ' ' LYS . 3.4 mt-10 -55.21 -32.81 62.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.0 -54.48 46.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.468 ' CG ' ' HG ' ' A' ' 33' ' ' LEU . 22.4 mmm180 -73.6 -40.59 63.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 110.25 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.272 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 4' ' ' LYS . 2.7 pp -50.88 -48.84 28.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 0.0 109.28 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.413 ' CB ' ' O ' ' A' ' 2' ' ' ILE . 2.0 t80 68.72 -60.55 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 2' ' ' ILE . 0.1 OUTLIER -91.84 69.25 5.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -160.91 -48.19 0.02 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.559 1.162 . . . . 0.0 110.941 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.56 ' C ' ' H ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER -41.19 -90.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.548 0.793 . . . . 0.0 109.348 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.554 ' HB ' ' O ' ' A' ' 6' ' ' VAL . 67.3 mt 74.5 -34.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.56 ' H ' ' C ' ' A' ' 6' ' ' VAL . 1.6 pt20 -50.11 -22.35 1.63 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.431 ' N ' ' HG3' ' A' ' 8' ' ' GLN . . . -42.02 -31.33 0.34 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.436 1.085 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.536 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 4.1 mt -48.65 -29.67 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.137 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -48.08 -23.83 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.309 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -49.3 -32.33 10.77 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.3 m -65.5 -32.52 74.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.983 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.48 ' O ' ' CG ' ' A' ' 18' ' ' PRO . 3.9 t70 -74.43 -36.98 63.44 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.442 1.088 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.53 -2.81 58.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -121.79 71.5 0.39 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.102 . . . . 0.0 111.043 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.483 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER 175.92 -57.64 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.473 0.749 . . . . 0.0 109.674 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.483 ' HD3' ' CB ' ' A' ' 17' ' ' HIS . 17.9 Cg_endo -75.11 135.75 19.28 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.588 1.836 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -91.95 -44.48 8.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -32.09 69.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.342 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.92 -34.67 71.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -75.88 -36.27 59.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.562 ' CD1' ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -55.83 -47.48 77.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.562 ' N ' ' CD1' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -52.86 -27.41 18.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.262 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 t -55.18 -18.94 6.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.051 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -57.82 -36.7 72.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.5 m -73.93 -36.39 45.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.92 -37.76 77.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.414 ' CG1' ' O ' ' A' ' 26' ' ' GLU . 41.5 pt -79.5 -33.75 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.519 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 17.8 m -54.1 -39.35 66.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -65.9 -48.43 71.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.08 -36.72 75.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.407 1.067 . . . . 0.0 110.37 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.605 ' CD1' ' CG ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -61.16 -41.77 97.37 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.519 ' CG2' ' O ' ' A' ' 30' ' ' SER . 82.1 t -56.49 -37.9 53.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -65.61 -26.15 67.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.246 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.487 ' CE ' HD23 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -60.18 -30.7 69.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -41.38 -25.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 111.013 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 36' ' ' LYS . 0.3 OUTLIER -54.92 -36.81 65.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.943 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.562 ' O ' ' CD1' ' A' ' 42' ' ' LEU . 1.6 t-20 -67.32 -31.19 71.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.401 ' OG ' ' CB ' ' A' ' 47' ' ' CYS . 1.4 t -58.14 -11.86 2.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.432 ' C ' ' N ' ' A' ' 43' ' ' GLY . . . -56.64 -32.77 65.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.562 ' CD1' ' O ' ' A' ' 39' ' ' ASN . 1.1 mt -42.7 -28.21 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.176 . . . . 0.0 109.243 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.586 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . 147.06 -28.36 1.55 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.557 1.161 . . . . 0.0 111.004 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.586 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER 155.69 118.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 109.576 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 44' ' ' HIS . 7.6 p -177.64 -55.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.418 1.073 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.24 -33.95 61.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.529 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 17.7 t -57.49 -29.94 64.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.259 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.471 HG22 ' CD1' ' A' ' 49' ' ' ILE . 0.8 OUTLIER -75.58 -34.33 60.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.582 1.176 . . . . 0.0 110.395 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.471 ' CD1' HG22 ' A' ' 48' ' ' THR . 0.7 OUTLIER -75.86 -48.63 28.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.529 ' HG3' ' O ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -54.96 -31.65 60.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 47' ' ' CYS . 1.6 mm-40 -54.2 -32.42 55.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.1 tp -57.33 -53.68 55.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.605 ' CG ' ' CD1' ' A' ' 33' ' ' LEU . 10.3 mmt-85 -73.91 -34.7 64.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.426 ' C ' ' N ' ' A' ' 3' ' ' TYR . 8.1 ptt180 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.507 ' O ' ' CB ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -40.03 -31.63 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.507 ' CB ' ' O ' ' A' ' 2' ' ' ILE . 0.9 OUTLIER 73.66 -54.88 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.968 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.41 -22.85 54.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -98.9 17.07 58.73 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.495 1.122 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.474 ' CG1' ' HA ' ' A' ' 3' ' ' TYR . 33.7 m -65.07 -54.99 22.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.475 0.75 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.498 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 7.1 mt 73.22 -50.14 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.452 ' C ' ' N ' ' A' ' 10' ' ' ILE . 1.9 pt20 -54.34 -22.26 11.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -41.24 -28.58 0.11 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.606 1.191 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 5.9 mt -48.26 -24.53 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 14' ' ' ASP . 7.7 pt20 -49.18 -24.58 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.383 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.1 -31.52 3.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.2 m -59.43 -36.61 76.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 11' ' ' GLN . 0.9 OUTLIER -49.1 -25.93 2.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 16' ' ' GLY . 44.8 mm-40 -71.25 -1.12 11.62 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.563 1.165 . . . . 0.0 110.246 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.582 ' O ' ' CG ' ' A' ' 17' ' ' HIS . . . -44.82 -97.24 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.582 ' CG ' ' O ' ' A' ' 16' ' ' GLY . 1.4 m170 156.34 -48.24 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 109.622 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 18.4 Cg_endo -74.95 -98.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.488 1.783 . . . . 0.0 110.948 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -73.52 -35.24 65.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.528 ' H ' ' CD ' ' A' ' 20' ' ' ARG . 1.4 mpt_? -59.36 -42.14 90.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.313 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 17' ' ' HIS . . . -57.49 -40.91 79.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.462 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -77.25 -35.33 55.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 111.025 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.494 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -53.86 -45.01 70.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.123 . . . . 0.0 109.38 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.493 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 0.3 OUTLIER -52.1 -27.61 14.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.358 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.2 t -55.27 -19.11 7.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.966 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 1.5 pp20? -57.99 -27.49 63.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 34.4 m -67.04 -34.93 73.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.62 -40.81 84.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 30' ' ' SER . 11.8 pt -79.42 -33.44 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.498 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 22.3 t -53.51 -44.53 69.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.972 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 9.3 pt-20 -69.56 -40.53 76.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.256 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 35' ' ' GLN . 2.6 mm-40 -70.19 -50.81 36.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.598 1.186 . . . . 0.0 110.345 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.535 ' CD2' ' O ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -47.37 -33.85 6.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.396 1.06 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.553 ' O ' ' CD1' ' A' ' 37' ' ' TYR . 81.0 t -58.82 -38.36 72.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' GLU . 15.5 mt-30 -66.36 -23.46 66.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.432 ' C ' ' N ' ' A' ' 38' ' ' SER . 3.8 mmtp -66.84 -31.01 71.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.553 ' CD1' ' O ' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -42.29 -24.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 111.027 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.549 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -54.68 -38.59 67.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 110.019 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.485 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 2.0 m-20 -54.7 -31.49 58.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.243 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.467 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 0.9 OUTLIER -60.18 -12.8 9.52 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.473 1.108 . . . . 0.0 109.977 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.8 -45.33 90.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -42.59 -86.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.475 ' O ' ' CG ' ' A' ' 44' ' ' HIS . . . -129.8 8.58 6.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 85.54 115.3 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.423 0.719 . . . . 0.0 109.613 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.8 p -163.35 -59.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.08 . . . . 0.0 109.236 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.42 ' ND2' ' CB ' ' A' ' 39' ' ' ASN . 1.5 m-80 -58.87 -33.05 70.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.479 ' HA ' ' CG ' ' A' ' 50' ' ' LYS . 28.9 p -56.07 -32.27 63.95 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 108.3 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.478 HG21 ' CD1' ' A' ' 49' ' ' ILE . 0.7 OUTLIER -76.04 -34.8 59.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.359 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.478 ' CD1' HG21 ' A' ' 48' ' ' THR . 1.2 mp -76.0 -48.13 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.479 ' CG ' ' HA ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -55.62 -32.74 63.38 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.407 ' N ' ' CD ' ' A' ' 50' ' ' LYS . 3.4 pt-20 -54.13 -31.21 51.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.335 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 49.8 mt -57.74 -54.16 50.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.482 ' CG ' ' CD1' ' A' ' 33' ' ' LEU . 10.7 mmt-85 -73.54 -40.67 63.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.32 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 110.32 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.0 tpp85 . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.5 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 2.5 pp -66.57 -158.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.5 ' N ' ' CD1' ' A' ' 2' ' ' ILE . 0.0 OUTLIER 173.87 -32.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.37 -23.18 5.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.209 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 6' ' ' VAL . . . 119.34 -47.25 1.04 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 5' ' ' GLY . 1.6 t 44.28 -169.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.549 0.793 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.504 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 0.9 OUTLIER -124.34 -47.5 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.423 ' C ' ' N ' ' A' ' 10' ' ' ILE . 0.5 OUTLIER -65.92 -26.44 67.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.493 ' O ' ' CD ' ' A' ' 12' ' ' LYS . . . -42.0 -28.53 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 8.2 mt -48.56 -24.3 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 14' ' ' ASP . 11.4 pt20 -49.16 -25.95 2.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.493 ' CD ' ' O ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -47.87 -31.92 5.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.1 m -60.59 -34.82 74.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.056 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 11' ' ' GLN . 29.5 m-20 -60.31 -29.3 68.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.567 1.167 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' GLY . 5.7 mm-40 -70.93 -25.95 62.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' GLU . . . 37.67 58.8 1.4 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.461 ' CB ' ' HB2' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -42.72 104.89 0.39 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.759 . . . . 0.0 109.574 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -47.92 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.489 1.784 . . . . 0.0 111.008 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -170.68 -50.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.408 ' NH1' ' HB1' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -65.41 -31.04 71.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.358 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.461 ' HB2' ' CB ' ' A' ' 17' ' ' HIS . . . -58.07 -34.19 69.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.355 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.401 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.3 OUTLIER -75.54 -35.79 60.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.97 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.55 ' CD1' ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -55.58 -47.08 77.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.33 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.55 ' N ' ' CD1' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -52.77 -27.06 16.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.25 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 22' ' ' TYR . 5.2 m -54.91 -19.47 6.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -58.06 -27.52 63.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.9 t -73.69 -32.91 36.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.425 ' O ' ' CG ' ' A' ' 31' ' ' GLU . . . -70.09 -42.92 72.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.416 HG13 ' N ' ' A' ' 30' ' ' SER . 2.8 pt -68.34 -38.54 79.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.416 ' N ' HG13 ' A' ' 29' ' ' ILE . 0.4 OUTLIER -56.52 -49.59 74.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.026 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 28' ' ' ALA . 9.8 pt-20 -66.57 -35.25 79.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 35' ' ' GLN . 1.6 mt-10 -71.67 -48.61 46.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.55 ' CG ' ' HG3' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -44.58 -34.99 2.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.449 ' HA ' ' NE ' ' A' ' 53' ' ' ARG . 3.3 t -56.85 -45.31 83.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 32' ' ' GLU . 3.0 pt20 -69.0 -26.64 65.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.485 ' CG ' ' HA ' ' A' ' 33' ' ' LEU . 1.5 mmmm -60.14 -30.09 69.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.573 ' CD1' ' HD3' ' A' ' 50' ' ' LYS . 3.2 t80 -42.48 -25.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 111.064 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -60.37 -37.44 80.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.942 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.572 ' O ' ' CD1' ' A' ' 42' ' ' LEU . 2.0 m-20 -55.09 -30.9 60.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.96 -11.86 2.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.955 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.45 -33.89 66.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.572 ' CD1' ' O ' ' A' ' 39' ' ' ASN . 0.9 OUTLIER -44.86 -79.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . -145.58 15.95 1.82 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.461 1.101 . . . . 0.0 111.038 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.501 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 0.7 OUTLIER 88.92 48.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.764 . . . . 0.0 109.612 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.444 ' CG2' ' N ' ' A' ' 46' ' ' ASN . 17.5 m -88.95 -53.04 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -44.36 -27.08 0.39 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.59 1.181 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.437 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -49.45 -30.54 8.25 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.442 1.089 . . . . 0.0 108.233 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.471 ' CG2' ' N ' ' A' ' 49' ' ' ILE . 9.4 t -67.28 -51.74 49.14 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.537 1.148 . . . . 0.0 110.412 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.491 HD12 ' N ' ' A' ' 50' ' ' LYS . 1.8 pp -75.68 -26.65 18.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.348 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.573 ' HD3' ' CD1' ' A' ' 37' ' ' TYR . 6.0 mmmt -46.24 -30.58 2.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.419 1.074 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.43 -30.07 27.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.358 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.464 ' HB3' ' CD1' ' A' ' 33' ' ' LEU . 5.5 tp -57.99 -50.1 74.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.55 ' HG3' ' CG ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -53.7 -45.68 70.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 110.257 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.451 ' N ' ' HE ' ' A' ' 20' ' ' ARG . 2.5 ppt_? . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.405 ' O ' ' CD2' ' A' ' 3' ' ' TYR . 4.5 mp -94.54 -80.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.405 ' CD2' ' O ' ' A' ' 2' ' ' ILE . 0.2 OUTLIER 172.4 38.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 111.007 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.57 18.83 1.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 48.34 49.01 26.61 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.574 1.171 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 51.4 t -56.73 162.23 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.783 . . . . 0.0 109.263 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.505 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 41.8 pt -78.31 -48.39 22.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.456 ' N ' HG13 ' A' ' 7' ' ' ILE . 1.5 pt20 -58.95 -25.32 63.41 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.484 ' O ' ' CD ' ' A' ' 12' ' ' LYS . . . -48.8 -24.15 1.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.505 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 1.3 mp -60.17 -27.36 39.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.354 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 14' ' ' ASP . 1.0 OUTLIER -47.85 -23.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.286 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.484 ' CD ' ' O ' ' A' ' 9' ' ' ALA . 0.6 OUTLIER -49.51 -32.01 11.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.2 p -65.28 -31.34 72.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 110.081 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 11' ' ' GLN . 4.3 t0 -67.1 -29.62 69.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.084 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -73.42 -38.2 65.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.536 ' O ' ' CG ' ' A' ' 17' ' ' HIS . . . 121.33 -71.2 0.39 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.558 1.161 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 16' ' ' GLY . 47.1 m80 -162.46 74.46 2.15 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.523 0.778 . . . . 0.0 109.569 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -174.81 2.06 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.493 1.786 . . . . 0.0 111.093 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -52.44 -32.2 38.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.584 1.178 . . . . 0.0 111.036 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.513 ' H ' ' CD ' ' A' ' 20' ' ' ARG . 2.5 mpt_? -71.16 -45.21 63.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.402 1.064 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.477 ' CB ' ' HA ' ' A' ' 17' ' ' HIS . . . -57.13 -40.43 77.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.416 ' O ' ' CB ' ' A' ' 25' ' ' SER . 5.9 m-85 -77.79 -35.42 51.53 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.569 1.168 . . . . 0.0 111.019 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.536 ' CD1' ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -54.54 -47.66 72.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.255 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.536 ' N ' ' CD1' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -52.62 -27.39 16.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.273 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 22' ' ' TYR . 6.0 t -55.24 -18.53 6.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -56.81 -27.7 60.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 26.8 m -73.31 -33.87 42.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.53 -39.08 93.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.518 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 6.9 pt -79.18 -36.22 18.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.56 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 22.9 t -48.85 -41.51 33.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 110.016 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.401 ' C ' HG23 ' A' ' 34' ' ' VAL . 8.1 tt0 -72.69 -35.94 67.76 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' GLN . 1.0 OUTLIER -72.08 -51.06 23.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.373 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.518 ' CD2' ' O ' ' A' ' 29' ' ' ILE . 0.5 OUTLIER -44.93 -32.44 1.62 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.56 ' CG2' ' O ' ' A' ' 30' ' ' SER . 2.3 t -61.49 -44.11 98.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' GLU . 1.8 pt20 -66.34 -26.67 67.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.331 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.437 ' C ' ' N ' ' A' ' 38' ' ' SER . 18.2 mmtt -60.68 -29.82 69.54 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -41.72 -25.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.409 1.068 . . . . 0.0 110.998 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.437 ' N ' ' C ' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -54.17 -37.06 64.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.025 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -62.59 -30.01 71.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.476 ' HB3' ' CB ' ' A' ' 47' ' ' CYS . 0.7 OUTLIER -58.02 -15.81 10.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.966 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.464 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -59.32 -43.38 92.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.579 ' CD2' ' N ' ' A' ' 43' ' ' GLY . 1.0 OUTLIER -35.77 -65.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.579 ' N ' ' CD2' ' A' ' 42' ' ' LEU . . . -166.1 27.74 0.18 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.556 1.16 . . . . 0.0 111.058 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 40' ' ' SER . 0.0 OUTLIER 70.79 72.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 0.737 . . . . 0.0 109.557 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.46 -42.12 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.428 ' O ' ' NZ ' ' A' ' 50' ' ' LYS . 1.7 m120 -80.03 -33.43 39.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.476 ' CB ' ' HB3' ' A' ' 40' ' ' SER . 4.9 t -55.8 -31.67 62.85 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.527 1.142 . . . . 0.0 108.275 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.466 HG21 ' CD1' ' A' ' 49' ' ' ILE . 1.1 t -60.4 -36.52 78.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 110.438 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.466 ' CD1' HG21 ' A' ' 48' ' ' THR . 1.3 mp -76.35 -32.56 22.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.428 ' NZ ' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -52.16 -33.15 39.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.071 . . . . 0.0 109.272 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.47 -33.37 59.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 0.0 110.258 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.9 mt -65.73 -45.56 82.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.501 ' CZ ' ' HA ' ' A' ' 53' ' ' ARG . 1.7 mmp_? -75.54 -36.25 60.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.203 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 2' ' ' ILE . 2.6 ptt180 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.472 ' O ' ' CB ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -37.64 -42.95 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.475 ' HA ' ' CG2' ' A' ' 6' ' ' VAL . 2.8 t80 71.45 -56.24 0.64 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.072 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -15.19 55.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.05 -26.63 12.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.475 ' CG2' ' HA ' ' A' ' 3' ' ' TYR . 18.8 m -101.81 18.37 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.76 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.502 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 82.2 mt -39.74 -31.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.44 1.087 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.6 ' O ' ' N ' ' A' ' 11' ' ' GLN . 1.4 pt20 -52.37 -19.83 2.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.565 ' O ' ' CG ' ' A' ' 12' ' ' LYS . . . -45.45 -26.63 0.59 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.502 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.1 OUTLIER -94.92 -24.75 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.6 ' N ' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -44.04 -20.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.58 ' CD ' ' H ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -41.44 -34.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.8 p -65.22 -48.91 71.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.959 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 11' ' ' GLN . 20.7 t0 -53.85 -29.87 43.08 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.404 1.065 . . . . 0.0 109.324 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.574 ' CB ' ' CE1' ' A' ' 17' ' ' HIS . 2.7 mm-40 -74.85 -19.32 60.22 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.441 1.088 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.2 47.47 55.35 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.559 1.162 . . . . 0.0 111.062 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.574 ' CE1' ' CB ' ' A' ' 15' ' ' GLU . 29.1 m-70 -48.82 105.75 0.54 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.544 0.79 . . . . 0.0 109.65 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -82.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.569 1.826 . . . . 0.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -150.89 -44.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.22 -31.74 73.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.43 -44.65 89.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -62.36 -35.55 79.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.922 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.546 ' CD1' ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -55.0 -47.48 74.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.546 ' N ' ' CD1' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -52.77 -27.53 18.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 22' ' ' TYR . 7.3 t -55.2 -18.97 6.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.442 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -58.15 -38.81 77.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.484 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 35.5 m -73.68 -32.76 36.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.442 ' O ' ' CG ' ' A' ' 31' ' ' GLU . . . -62.65 -37.57 86.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.621 1.201 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.431 HG13 ' N ' ' A' ' 30' ' ' SER . 9.4 pt -79.04 -33.99 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.431 ' N ' HG13 ' A' ' 29' ' ' ILE . 47.0 t -54.45 -44.94 72.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.442 ' CG ' ' O ' ' A' ' 28' ' ' ALA . 7.3 pt-20 -67.32 -39.5 85.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.436 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 37.8 mt-10 -70.33 -36.89 74.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.478 ' CB ' ' HG3' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -61.93 -34.99 77.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.376 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.582 ' O ' ' CD1' ' A' ' 37' ' ' TYR . 57.9 t -71.26 -36.91 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -67.32 -25.92 66.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.434 ' HG3' ' ND2' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -63.58 -30.86 71.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.587 1.179 . . . . 0.0 109.266 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 34' ' ' VAL . 0.5 OUTLIER -45.18 -21.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.532 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 2.8 m -53.8 -38.55 64.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.499 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 2.4 t-20 -59.7 -29.62 68.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 p -58.17 -12.09 3.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.033 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.8 -39.36 73.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -46.35 -86.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 109.233 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . -126.95 3.83 7.4 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 4.1 t60 87.36 103.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 109.602 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -151.04 -61.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.453 1.096 . . . . 0.0 109.35 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.486 ' ND2' ' CB ' ' A' ' 39' ' ' ASN . 7.0 m-20 -54.99 -32.71 61.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.363 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 49.7 t -56.42 -31.99 64.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 108.323 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.503 HG23 ' CD1' ' A' ' 49' ' ' ILE . 0.6 OUTLIER -75.62 -32.72 60.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.354 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.575 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.7 OUTLIER -68.23 -40.8 83.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.355 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -51.71 -31.14 25.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.436 ' N ' ' HG3' ' A' ' 50' ' ' LYS . 9.3 mt-10 -53.64 -34.09 57.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.1 mp -60.59 -53.01 62.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.478 ' HG3' ' CB ' ' A' ' 33' ' ' LEU . 9.6 mmm180 -73.47 -34.26 65.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.411 1.069 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.176 . . . . 0.0 110.291 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.47 ' CD1' HG12 ' A' ' 6' ' ' VAL . 0.5 OUTLIER -45.01 -89.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 32.6 t80 58.08 14.65 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.3 5.08 50.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.363 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.474 ' O ' ' C ' ' A' ' 6' ' ' VAL . . . 82.74 56.29 2.8 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.474 ' C ' ' O ' ' A' ' 5' ' ' GLY . 0.2 OUTLIER -33.88 141.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 0.735 . . . . 0.0 109.267 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.419 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 28.3 pt -87.61 -43.85 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 11' ' ' GLN . 2.4 pt20 -51.32 -21.51 2.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 110.258 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.495 ' O ' ' CD ' ' A' ' 12' ' ' LYS . . . -53.27 -23.67 9.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.419 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 2.8 mp -77.51 -23.19 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 8' ' ' GLN . 8.0 pt20 -47.7 -23.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 110.358 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.495 ' CD ' ' O ' ' A' ' 9' ' ' ALA . 0.2 OUTLIER -47.02 -31.78 3.5 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.108 . . . . 0.0 109.286 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.54 -34.28 72.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 110.035 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 11' ' ' GLN . 11.2 t0 -70.71 -29.98 66.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -74.42 -22.76 58.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 110.326 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 60.55 38.16 94.49 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.502 1.127 . . . . 0.0 110.955 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 21.6 m80 44.88 78.64 0.38 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.747 . . . . 0.0 109.608 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -161.62 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.438 1.757 . . . . 0.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -103.81 -35.23 8.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.521 ' H ' ' CD ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -75.29 -30.09 60.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.22 -33.62 58.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -75.5 -34.28 60.83 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.434 1.084 . . . . 0.0 110.987 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.563 ' CD1' ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -58.19 -47.38 83.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.563 ' N ' ' CD1' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -52.84 -27.14 16.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 110.272 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.3 t -54.98 -19.46 6.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.964 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 2.0 pp20? -58.3 -43.96 88.35 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.151 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.4 p -74.01 -38.72 49.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.341 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.464 ' O ' ' CG ' ' A' ' 31' ' ' GLU . . . -58.3 -38.35 76.89 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.424 HG13 ' N ' ' A' ' 30' ' ' SER . 10.9 pt -78.49 -34.4 18.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.347 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.424 ' N ' HG13 ' A' ' 29' ' ' ILE . 1.1 t -55.19 -44.78 75.63 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.597 1.185 . . . . 0.0 109.979 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' A' ' 28' ' ' ALA . 7.5 pt-20 -66.91 -39.15 87.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.431 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -70.92 -36.88 72.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.488 ' CD1' HG22 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -64.1 -54.76 28.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.621 ' O ' ' CD1' ' A' ' 37' ' ' TYR . 5.7 m -56.92 -37.51 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.425 ' N ' HG21 ' A' ' 34' ' ' VAL . 4.9 mm-40 -70.7 -26.3 63.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.349 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 38' ' ' SER . 1.2 ptmt -71.91 -28.71 63.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.621 ' CD1' ' O ' ' A' ' 34' ' ' VAL . 0.6 OUTLIER -40.86 -25.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.563 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -53.65 -34.99 60.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 110.024 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.428 ' HB3' ' CG1' ' A' ' 45' ' ' VAL . 91.5 m-20 -48.16 -30.34 4.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.4 t -56.98 -18.45 13.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.024 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -60.94 -43.66 98.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.536 ' C ' ' CD2' ' A' ' 42' ' ' LEU . 0.6 OUTLIER -38.02 -31.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.526 ' O ' ' CD2' ' A' ' 44' ' ' HIS . . . 137.74 -9.57 3.68 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.526 ' CD2' ' O ' ' A' ' 43' ' ' GLY . 2.9 m-70 167.32 105.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 109.623 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.509 ' O ' ' N ' ' A' ' 48' ' ' THR . 21.2 t -152.09 -49.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.365 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -42.44 -32.37 0.53 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.522 ' O ' ' CD ' ' A' ' 50' ' ' LYS . 5.9 t -55.58 -46.32 77.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 108.309 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 45' ' ' VAL . 1.8 m -74.94 -32.71 61.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.383 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.488 HG22 ' CD1' ' A' ' 33' ' ' LEU . 2.0 mm -56.3 -31.4 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.522 ' CD ' ' O ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -49.06 -33.33 11.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.232 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -69.85 -37.54 76.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -67.6 -58.58 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -67.79 -35.99 79.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.42 1.075 . . . . 0.0 110.275 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 50' ' ' LYS . 29.4 ptt180 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.269 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.647 ' NE ' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.408 ' CD1' ' O ' ' A' ' 2' ' ' ILE . 1.5 pp -113.37 136.26 50.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.357 1.035 . . . . 0.0 109.313 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.647 ' CE1' ' NE ' ' A' ' 1' ' ' ARG . 3.1 m-30 -93.77 32.32 1.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 111.033 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.515 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 41.28 33.57 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.249 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.473 ' O ' ' C ' ' A' ' 6' ' ' VAL . . . 77.72 43.87 13.84 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 110.972 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.55 ' CG1' ' N ' ' A' ' 7' ' ' ILE . 1.6 p 35.1 -150.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.498 0.763 . . . . 0.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.55 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 1.0 OUTLIER -126.73 -47.46 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.422 1.076 . . . . 0.0 109.314 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.478 ' C ' ' N ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -55.98 -23.47 32.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.426 ' C ' ' N ' ' A' ' 11' ' ' GLN . . . -42.29 -25.09 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.478 ' N ' ' C ' ' A' ' 8' ' ' GLN . 14.1 mt -47.2 -22.4 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 14' ' ' ASP . 2.2 pp0? -43.66 -28.52 0.41 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 0.0 110.345 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -46.32 -30.65 2.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.466 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 4.9 m -61.14 -35.98 78.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.038 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 11' ' ' GLN . 1.7 m-20 -64.11 -29.94 71.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.82 -48.86 67.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.86 -51.97 4.14 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.548 1.155 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.401 ' CG ' ' HB3' ' A' ' 21' ' ' ALA . 0.0 OUTLIER 59.2 156.2 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.496 0.762 . . . . 0.0 109.608 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -66.16 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.598 1.841 . . . . 0.0 110.966 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 179.3 -55.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.572 ' CD ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -73.5 -28.09 61.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.352 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.572 ' N ' ' CD ' ' A' ' 20' ' ' ARG . . . -58.46 -32.82 69.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.423 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -69.58 -36.46 76.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.936 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.563 ' CD1' ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -55.77 -47.41 77.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.377 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.563 ' N ' ' CD1' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -52.67 -26.98 15.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.545 1.153 . . . . 0.0 110.332 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 22' ' ' TYR . 8.1 t -54.96 -19.28 6.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.516 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 1.3 pp20? -58.07 -40.44 81.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 110.258 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.3 p -73.75 -40.99 54.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.45 -40.0 81.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.16 . . . . 0.0 109.334 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.2 pt -78.66 -33.99 17.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.4 m -54.41 -33.22 58.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -70.01 -49.69 48.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.267 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -70.95 -36.99 72.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.484 HD22 ' CA ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -50.66 -22.73 2.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.563 1.165 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 61.9 t -56.12 -38.16 52.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -58.62 -25.52 62.76 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 38' ' ' SER . 26.1 mmmt -60.25 -30.09 69.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.224 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -41.62 -26.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 36' ' ' LYS . 16.7 m -54.72 -37.24 65.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.061 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.43 ' HB3' ' CG2' ' A' ' 45' ' ' VAL . 32.6 m120 -48.5 -30.73 5.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.449 ' N ' ' OD1' ' A' ' 46' ' ' ASN . 0.3 OUTLIER -58.64 -13.84 6.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.084 . . . . 0.0 110.002 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.99 -36.6 75.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.524 ' CD1' ' N ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -98.49 -18.24 18.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 66.37 54.65 22.26 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 -139.17 -102.14 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 0.0 109.607 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 48' ' ' THR . 2.5 m -41.42 -34.63 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 40' ' ' SER . 3.6 t30 -45.06 -33.94 2.33 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -56.34 -43.77 79.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.601 1.188 . . . . 0.0 108.287 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -71.45 -35.23 70.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.356 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.469 ' CD1' HG22 ' A' ' 48' ' ' THR . 1.2 mp -58.92 -35.16 55.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -55.61 -36.36 66.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -34.12 70.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.467 ' CB ' HD23 ' A' ' 33' ' ' LEU . 25.1 mt -61.91 -56.64 17.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.514 ' CB ' ' CZ ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -77.45 -33.35 54.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.225 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.457 ' O ' ' CB ' ' A' ' 3' ' ' TYR . 0.7 OUTLIER -126.71 -54.21 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.337 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.457 ' CB ' ' O ' ' A' ' 2' ' ' ILE . 7.5 t80 70.67 5.42 5.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.45 ' CG ' HG21 ' A' ' 2' ' ' ILE . 2.6 ptpp? -126.29 4.08 7.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 149.57 72.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.453 ' C ' ' N ' ' A' ' 8' ' ' GLN . 0.3 OUTLIER -109.33 -6.41 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 109.224 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.493 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 38.4 mt -39.92 -30.12 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.453 ' N ' ' C ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -51.19 -22.89 2.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' O ' ' HG3' ' A' ' 12' ' ' LYS . . . -50.44 -22.48 1.92 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.443 1.089 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 2.4 mp -70.7 -24.7 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 14' ' ' ASP . 15.3 pt20 -44.38 -26.06 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -46.25 -31.78 2.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.426 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -59.29 -36.79 76.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.182 . . . . 0.0 110.027 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.498 ' O ' ' CD ' ' A' ' 18' ' ' PRO . 9.0 t0 -69.13 -29.95 68.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.82 -2.79 25.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.331 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -93.12 58.18 2.41 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.13 . . . . 0.0 111.043 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.514 ' CG ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER 177.77 -58.36 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.494 0.761 . . . . 0.0 109.566 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.514 ' HD3' ' CG ' ' A' ' 17' ' ' HIS . 18.4 Cg_endo -74.96 166.28 29.55 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.527 1.804 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -116.87 -37.61 3.58 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.42 1.075 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.93 -31.47 72.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.332 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.4 -34.42 70.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -75.17 -35.91 61.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.555 ' CD2' ' N ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -55.64 -47.23 76.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.555 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -52.59 -27.74 18.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.6 t -55.39 -18.5 6.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.142 . . . . 0.0 109.949 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -57.62 -30.57 65.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.12 . . . . 0.0 110.317 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 35.2 m -74.86 -33.21 29.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.02 -39.7 75.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.419 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 3.7 pt -79.83 -30.51 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.353 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.617 ' HA ' ' CD2' ' A' ' 33' ' ' LEU . 0.8 OUTLIER -48.38 -44.78 35.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.978 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.457 ' HA ' ' CG2' ' A' ' 34' ' ' VAL . 3.4 pt-20 -71.86 -32.06 67.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 0.0 110.256 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 36' ' ' LYS . 2.7 mm-40 -70.57 -54.58 11.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.257 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.617 ' CD2' ' HA ' ' A' ' 30' ' ' SER . 1.7 pp -52.99 -56.79 13.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.606 ' O ' ' CD1' ' A' ' 37' ' ' TYR . 30.4 m -54.96 -38.23 44.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -71.25 -30.13 65.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.404 1.065 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.56 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -60.8 -29.42 69.44 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.429 1.08 . . . . 0.0 109.349 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -54.08 -18.17 3.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 111.027 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.568 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 1.6 m -58.32 -38.61 77.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.99 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.501 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 4.0 m-80 -54.89 -30.06 57.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.1 t -58.03 -13.17 4.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 0.0 110.003 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.89 -35.72 73.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -56.59 -20.83 22.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.556 ' O ' ' CG ' ' A' ' 44' ' ' HIS . . . 133.04 -32.17 2.79 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.451 1.095 . . . . 0.0 111.05 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 43' ' ' GLY . 1.1 m170 159.12 122.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.618 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.498 ' O ' ' CG2' ' A' ' 48' ' ' THR . 8.6 p -177.93 -37.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -102.3 -30.35 11.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.5 t -53.14 -30.79 38.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 108.256 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -59.84 -40.69 89.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.33 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.502 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 1.2 mp -76.74 -33.11 21.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.233 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.71 -31.48 26.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.341 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.442 ' CG ' HD21 ' A' ' 52' ' ' LEU . 8.4 pt-20 -53.15 -33.13 51.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.274 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.442 HD21 ' CG ' ' A' ' 51' ' ' GLU . 2.4 mm? -59.11 -44.9 92.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.459 ' HD3' ' N ' ' A' ' 53' ' ' ARG . 11.7 mmt180 -55.22 -38.5 68.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.128 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.415 1.072 . . . . 0.0 110.324 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.5 ttm-85 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.3 mt 63.17 -83.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.417 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER 179.08 34.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 111.068 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 3' ' ' TYR . 8.1 tttm 170.27 -33.29 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.228 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.63 55.47 0.7 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.452 1.095 . . . . 0.0 111.029 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.424 ' CG1' ' N ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -112.41 -45.22 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 0.792 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.424 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 17.7 mt 77.87 -45.71 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 10' ' ' ILE . 2.3 pt20 -52.76 -20.04 2.89 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.532 1.145 . . . . 0.0 110.264 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.477 ' O ' ' HG3' ' A' ' 12' ' ' LYS . . . -40.98 -27.04 0.05 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.113 . . . . 0.0 109.256 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.461 ' N ' ' O ' ' A' ' 8' ' ' GLN . 22.9 pt -45.44 -22.97 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.46 ' N ' ' C ' ' A' ' 9' ' ' ALA . 2.0 pt20 -44.32 -26.99 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.497 ' CD ' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -46.7 -30.43 2.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.497 ' N ' ' CD ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -59.14 -35.71 73.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 11' ' ' GLN . 75.5 m-20 -71.53 -29.86 65.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -74.65 -16.99 60.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 110.347 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 61.37 34.87 89.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.143 . . . . 0.0 111.047 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 46.63 80.46 0.29 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.506 0.768 . . . . 0.0 109.604 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -60.65 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.471 1.774 . . . . 0.0 110.943 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -172.58 -55.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.564 ' CD ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -64.39 -27.5 69.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.564 ' N ' ' CD ' ' A' ' 20' ' ' ARG . . . -57.96 -33.15 68.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.443 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -74.94 -36.5 62.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.135 . . . . 0.0 110.999 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.513 ' CD2' ' C ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -57.49 -47.75 81.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.25 -179.915 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.5 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -53.33 -27.07 21.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 t -54.98 -18.9 5.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.985 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -57.89 -27.97 63.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 34.7 m -73.43 -32.93 38.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.447 ' O ' ' HG3' ' A' ' 31' ' ' GLU . . . -64.68 -35.76 82.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 30' ' ' SER . 6.7 pt -83.14 -35.89 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.421 ' N ' HG13 ' A' ' 29' ' ' ILE . 10.7 t -67.8 -46.15 72.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.949 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.523 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -58.76 -46.55 87.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.26 -179.908 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.457 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 12.6 pt-20 -70.57 -35.8 73.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.505 ' O ' ' CD1' ' A' ' 33' ' ' LEU . 1.8 tm? -46.46 -25.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.523 ' CG2' ' O ' ' A' ' 31' ' ' GLU . 11.0 m -57.38 -37.67 58.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -58.32 -25.58 62.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.367 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.46 ' HG3' ' CD2' ' A' ' 33' ' ' LEU . 9.5 mmtt -59.58 -30.02 68.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.238 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -41.41 -25.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.437 ' N ' ' C ' ' A' ' 36' ' ' LYS . 1.6 m -54.64 -36.51 64.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.098 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.478 ' HB3' ' CG1' ' A' ' 45' ' ' VAL . 7.6 m-20 -48.4 -30.22 4.8 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.523 ' N ' ' ND2' ' A' ' 46' ' ' ASN . 30.4 t -58.75 -13.89 7.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.21 -37.25 77.01 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.433 1.083 . . . . 0.0 109.336 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.568 ' CD1' ' N ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -88.29 -39.7 14.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.31 32.97 15.14 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.414 ' C ' ' CG1' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -156.65 65.01 0.53 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.55 0.794 . . . . 0.0 109.631 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 39' ' ' ASN . 0.2 OUTLIER 173.83 -44.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.234 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.523 ' ND2' ' N ' ' A' ' 40' ' ' SER . 0.3 OUTLIER -45.4 -33.81 2.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.3 t -54.92 -41.87 71.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 108.331 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 45' ' ' VAL . 1.2 t -72.52 -34.24 67.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 110.453 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.466 ' CD1' HG23 ' A' ' 48' ' ' THR . 1.2 mp -57.64 -33.98 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 54' ' ' ARG . 3.2 mmtm -52.79 -35.74 57.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.39 -34.05 72.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.418 1.074 . . . . 0.0 110.256 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.9 mt -65.66 -57.05 9.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -72.62 -33.54 66.74 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.558 1.161 . . . . 0.0 110.292 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 110.269 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.416 ' CG2' ' HB1' ' A' ' 9' ' ' ALA . 1.2 pp -103.08 178.79 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -119.85 -7.91 9.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.525 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -176.82 36.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 6' ' ' VAL . . . 58.02 67.59 2.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.555 1.16 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.413 HG21 ' N ' ' A' ' 7' ' ' ILE . 2.7 m -58.74 -157.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.757 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.491 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 36.8 pt -101.37 -48.38 11.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.585 1.178 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.432 ' C ' ' N ' ' A' ' 10' ' ' ILE . 0.5 OUTLIER -56.55 -27.28 57.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.308 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.427 ' C ' ' N ' ' A' ' 11' ' ' GLN . . . -42.13 -28.52 0.19 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.122 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.491 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.7 OUTLIER -48.32 -23.01 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 14' ' ' ASP . 0.5 OUTLIER -45.12 -28.23 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.333 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.423 ' HD3' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -46.93 -31.85 3.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.423 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 51.6 m -60.6 -35.46 76.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.034 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 11' ' ' GLN . 0.6 OUTLIER -69.71 -29.88 67.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -68.84 -38.82 80.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.578 ' HA3' ' CE1' ' A' ' 22' ' ' TYR . . . -83.09 49.38 4.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.524 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -73.6 -50.93 5.66 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 109.615 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 18.3 Cg_endo -74.99 -89.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -173.23 -43.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 111.044 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.525 ' H ' ' CD ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -76.95 -31.61 56.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.38 -30.74 52.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.108 . . . . 0.0 109.254 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.578 ' CE1' ' HA3' ' A' ' 16' ' ' GLY . 0.4 OUTLIER -66.77 -30.46 70.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 111.049 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.571 ' C ' ' CD1' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -52.86 -40.77 63.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.434 ' N ' HD11 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -53.57 -26.93 23.64 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 62.2 m -54.09 -19.58 5.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.056 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -58.67 -27.53 64.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 110.304 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.9 m -74.32 -41.1 50.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.95 -36.58 72.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.447 HG13 ' N ' ' A' ' 30' ' ' SER . 3.2 pt -79.22 -34.21 16.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.447 ' N ' HG13 ' A' ' 29' ' ' ILE . 4.4 m -54.88 -33.3 61.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -69.28 -48.25 62.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.373 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 35' ' ' GLN . 1.8 mt-10 -71.21 -37.95 72.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.487 ' CD1' HG22 ' A' ' 49' ' ' ILE . 15.5 tp -47.01 -28.02 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.479 ' O ' ' HB3' ' A' ' 37' ' ' TYR . 2.8 t -72.24 -47.78 51.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -58.8 -21.92 57.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.431 ' C ' ' N ' ' A' ' 38' ' ' SER . 8.1 mmtt -57.79 -30.38 65.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.479 ' HB3' ' O ' ' A' ' 34' ' ' VAL . 3.8 p90 -41.08 -26.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -54.61 -35.32 63.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.123 . . . . 0.0 109.937 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.42 ' CG ' ' CG2' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -47.33 -29.67 2.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 109.241 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.486 ' CA ' ' HB3' ' A' ' 46' ' ' ASN . 0.6 OUTLIER -56.4 -16.56 5.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.031 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.72 -35.92 79.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.108 . . . . 0.0 109.224 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.486 ' C ' ' CD2' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -59.61 -48.74 80.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.231 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 125.09 -0.25 8.25 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.462 1.102 . . . . 0.0 111.016 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.528 ' O ' ' CB ' ' A' ' 45' ' ' VAL . 1.3 t-160 -177.18 108.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 109.58 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.528 ' CB ' ' O ' ' A' ' 44' ' ' HIS . 0.9 OUTLIER 161.76 -43.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.486 ' HB3' ' CA ' ' A' ' 40' ' ' SER . 2.5 p-10 -56.52 -39.33 73.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.35 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.481 ' HA ' ' CG ' ' A' ' 50' ' ' LYS . 0.5 OUTLIER -57.01 -32.63 66.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 108.252 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.25 -34.38 55.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.417 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.487 HG22 ' CD1' ' A' ' 33' ' ' LEU . 6.0 mm -76.11 -48.35 28.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.359 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.481 ' CG ' ' HA ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -53.18 -31.33 42.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -60.56 -32.87 71.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.393 1.058 . . . . 0.0 110.266 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.446 ' N ' ' HG3' ' A' ' 51' ' ' GLU . 2.7 mm? -68.15 -59.78 2.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.473 ' HB3' ' CD2' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -65.58 -33.2 75.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.497 ' O ' ' CB ' ' A' ' 3' ' ' TYR . 4.1 mt 70.76 -58.61 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.497 ' CB ' ' O ' ' A' ' 2' ' ' ILE . 0.1 OUTLIER 73.78 8.21 4.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.441 ' CG ' HG21 ' A' ' 2' ' ' ILE . 0.0 OUTLIER -83.19 -18.12 40.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 6' ' ' VAL . . . 128.95 42.28 0.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.584 1.177 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.551 ' CG1' ' N ' ' A' ' 7' ' ' ILE . 1.2 p 35.88 -152.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.448 0.734 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.551 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 1.1 pt -123.56 -44.54 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.591 1.182 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.471 ' C ' ' N ' ' A' ' 10' ' ' ILE . 1.1 pt20 -54.37 -19.39 5.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.564 ' O ' ' CG ' ' A' ' 12' ' ' LYS . . . -39.13 -29.5 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.079 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.515 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -98.7 -59.78 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 14' ' ' ASP . 3.3 pt20 -46.11 -27.63 1.01 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.595 ' NZ ' ' CE1' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -46.1 -32.46 2.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.419 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -59.44 -36.37 75.78 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 0.0 109.982 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -67.96 -29.67 68.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.345 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -73.85 -34.68 64.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.165 . . . . 0.0 110.27 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 17' ' ' HIS . . . 70.43 45.62 53.3 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.595 ' CE1' ' NZ ' ' A' ' 12' ' ' LYS . 2.4 m-70 39.02 77.71 0.4 Allowed Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.43 0.723 . . . . 0.0 109.601 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 -162.69 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.516 1.798 . . . . 0.0 111.044 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -138.56 -55.28 0.62 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 0.0 110.948 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.58 ' CD ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -73.83 -27.95 61.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 110.291 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.58 ' N ' ' CD ' ' A' ' 20' ' ' ARG . . . -58.16 -32.92 68.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -73.43 -36.61 65.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.557 ' CD1' ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -55.65 -46.19 77.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.596 1.185 . . . . 0.0 109.326 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.557 ' N ' ' CD1' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -52.47 -26.98 14.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.2 m -55.03 -19.87 8.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.982 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -58.56 -27.96 65.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.8 t -73.87 -33.84 38.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.55 -49.07 51.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.561 ' O ' ' CB ' ' A' ' 33' ' ' LEU . 3.3 pt -58.98 -34.09 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.5 ' O ' ' CG2' ' A' ' 34' ' ' VAL . 41.3 t -60.69 -51.47 69.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.017 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.425 ' O ' HG22 ' A' ' 34' ' ' VAL . 10.7 pt-20 -71.0 -38.84 72.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' GLN . 1.7 mt-10 -71.43 -50.89 27.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.561 ' CB ' ' O ' ' A' ' 29' ' ' ILE . 2.0 tm? -45.67 -25.89 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.549 ' O ' ' CD1' ' A' ' 37' ' ' TYR . 11.4 t -63.39 -44.13 98.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.26 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 32' ' ' GLU . 1.2 pp0? -68.78 -25.99 64.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.426 ' C ' ' N ' ' A' ' 38' ' ' SER . 15.2 mttt -64.59 -30.77 71.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.55 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.7 OUTLIER -42.44 -25.58 0.08 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.446 1.091 . . . . 0.0 111.061 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.55 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -54.94 -38.44 67.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 110.012 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.488 ' O ' ' CD2' ' A' ' 42' ' ' LEU . 1.2 t-20 -59.72 -29.52 68.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 p -57.52 -15.16 6.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 109.961 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.74 -36.86 77.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.255 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -55.21 -83.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.68 21.74 3.74 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 28.4 m80 66.05 68.73 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 0.79 . . . . 0.0 109.599 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.04 -17.69 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -100.98 -32.6 10.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.2 m -55.49 -31.75 62.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 108.296 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.467 HG22 ' CD1' ' A' ' 49' ' ' ILE . 0.8 OUTLIER -60.72 -35.18 75.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.392 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.467 ' CD1' HG22 ' A' ' 48' ' ' THR . 7.2 mm -76.35 -34.66 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.458 ' CE ' ' HB3' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -53.52 -33.59 55.05 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -55.64 -35.35 65.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 110.349 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.8 mp -67.35 -51.48 51.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.444 ' HA ' ' NE ' ' A' ' 53' ' ' ARG . 10.0 mmm180 -67.03 -33.61 75.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.269 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.366 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.824 0 N-CA-C 111.004 -0.422 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 t80 179.7 -48.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.075 . . . . 0.0 110.967 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.437 ' HG2' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -64.48 -31.25 72.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.437 ' N ' ' HG2' ' A' ' 20' ' ' ARG . . . -58.16 -34.46 70.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -74.99 -36.15 62.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.017 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -57.35 -47.29 81.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.342 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 1.017 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -52.87 -26.99 16.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.406 1.066 . . . . 0.0 110.314 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.601 ' O ' HG23 ' A' ' 29' ' ' ILE . 3.1 t -54.91 -19.17 6.04 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.474 1.109 . . . . 0.0 109.956 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.405 ' O ' HG12 ' A' ' 29' ' ' ILE . 25.5 pt-20 -57.87 -27.98 63.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.03 -33.97 37.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.569 1.168 . . . . 0.0 109.35 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.48 -49.26 50.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.601 HG23 ' O ' ' A' ' 25' ' ' SER . 3.1 pt -58.42 -39.55 75.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.768 ' O ' HG23 ' A' ' 34' ' ' VAL . 68.2 m -54.68 -40.45 69.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.44 1.087 . . . . 0.0 109.98 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.479 ' OE1' ' CA ' ' A' ' 31' ' ' GLU . 2.0 tp10 -69.22 -41.85 76.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 2.0 tt0 -69.69 -44.0 71.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.246 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.908 HD23 ' HG2' ' A' ' 53' ' ' ARG . 2.6 tp -46.06 -49.34 16.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 30' ' ' SER . 3.4 t -62.44 -35.4 69.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 32' ' ' GLU . 12.2 mt-30 -70.91 -24.14 62.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 44.1 mmtt -58.81 -28.91 66.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.455 ' HB3' ' O ' ' A' ' 34' ' ' VAL . 3.4 p90 -40.33 -27.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' LYS . 0.3 OUTLIER -54.57 -38.68 66.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.984 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.787 ' O ' HD22 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -64.58 -30.78 71.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.358 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.475 ' CB ' ' HB2' ' A' ' 47' ' ' CYS . 0.9 OUTLIER -59.09 -13.04 5.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.17 -34.72 70.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.787 HD22 ' O ' ' A' ' 39' ' ' ASN . 0.1 OUTLIER -80.45 53.11 1.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.616 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . 87.37 -57.53 4.5 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.43 1.081 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.654 ' C ' HG22 ' A' ' 45' ' ' VAL . 0.5 OUTLIER 153.18 133.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 0.739 . . . . 0.0 109.556 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.654 HG22 ' C ' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -168.06 -60.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -71.39 -31.95 67.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.475 ' HB2' ' CB ' ' A' ' 40' ' ' SER . 12.2 t -55.32 -30.81 60.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.107 . . . . 0.0 108.273 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.483 HG22 HD13 ' A' ' 49' ' ' ILE . 0.7 OUTLIER -59.9 -34.58 73.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.483 HD13 HG22 ' A' ' 48' ' ' THR . 1.3 mp -73.4 -33.31 39.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -52.25 -31.82 34.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -52.63 -30.13 29.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.6 mt -57.22 -54.26 48.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.908 ' HG2' HD23 ' A' ' 33' ' ' LEU . 15.8 mmm180 -56.48 -38.62 71.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 110.326 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 110.962 -0.438 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 t80 178.99 -49.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.439 ' HG2' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -62.61 -31.39 72.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.439 ' N ' ' HG2' ' A' ' 20' ' ' ARG . . . -58.22 -34.31 70.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -75.04 -35.98 61.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.415 1.072 . . . . 0.0 110.942 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.009 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -56.81 -47.51 80.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 1.009 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -52.92 -27.46 18.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.27 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 t -55.15 -19.0 6.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.521 ' HG2' HD22 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -57.99 -31.1 66.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 110.288 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.83 HG22 ' O ' ' A' ' 24' ' ' GLU . 11.5 m -73.84 -34.26 39.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.435 ' O ' ' HG2' ' A' ' 31' ' ' GLU . . . -63.2 -36.0 82.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.518 ' O ' ' CB ' ' A' ' 33' ' ' LEU . 5.2 pt -81.48 -34.58 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.491 ' O ' HG23 ' A' ' 34' ' ' VAL . 53.2 m -65.4 -46.49 79.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.987 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 28' ' ' ALA . 12.5 pt-20 -60.69 -49.44 77.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.546 1.154 . . . . 0.0 110.25 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 29' ' ' ILE . 8.6 pt-20 -71.25 -36.65 71.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.045 HD11 HG23 ' A' ' 49' ' ' ILE . 2.6 tp -53.1 -22.85 6.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 30' ' ' SER . 79.1 t -56.83 -37.1 52.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.414 1.071 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -61.67 -22.33 65.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 110.272 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.929 ' HG3' HD12 ' A' ' 33' ' ' LEU . 2.2 mmpt? -58.36 -30.61 66.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.485 ' HB3' ' O ' ' A' ' 34' ' ' VAL . 3.3 p90 -40.67 -27.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -55.21 -37.89 67.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.998 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.536 ' HB3' HG13 ' A' ' 45' ' ' VAL . 11.5 m-20 -63.55 -29.95 71.14 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.413 1.07 . . . . 0.0 109.23 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.411 ' N ' ' HB2' ' A' ' 46' ' ' ASN . 0.4 OUTLIER -57.36 -10.19 1.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.059 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.411 ' H ' ' C ' ' A' ' 39' ' ' ASN . . . -54.35 -33.96 60.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.834 HD13 ' HB2' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -96.07 -24.77 16.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.732 ' N ' HD12 ' A' ' 42' ' ' LEU . . . 71.39 54.81 8.32 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.834 ' HB2' HD13 ' A' ' 42' ' ' LEU . 76.9 m80 -138.41 -91.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 0.743 . . . . 0.0 109.561 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.536 HG13 ' HB3' ' A' ' 39' ' ' ASN . 3.5 p -50.63 -47.98 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.411 ' HB2' ' N ' ' A' ' 40' ' ' SER . 5.5 t30 -47.35 -32.75 5.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.524 ' O ' ' CD ' ' A' ' 50' ' ' LYS . 1.0 OUTLIER -55.95 -37.13 68.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 108.288 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 45' ' ' VAL . 1.0 OUTLIER -73.96 -33.32 63.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.399 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 1.045 HG23 HD11 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -56.45 -34.15 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.249 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.524 ' CD ' ' O ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -50.93 -34.18 27.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -70.18 -34.46 72.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.844 HD12 HD22 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -67.12 -57.86 5.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.42 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.472 ' HD2' HG22 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -71.46 -33.39 69.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.561 1.163 . . . . 0.0 110.209 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.918 0 N-CA-C 111.039 -0.408 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.88 -34.3 3.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.566 ' CD ' ' H ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -75.5 -29.43 59.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.252 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.5 -32.64 51.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -60.9 -34.73 75.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.988 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -64.9 -47.54 77.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.988 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -52.81 -27.07 16.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.539 ' O ' HG23 ' A' ' 29' ' ' ILE . 10.4 m -54.99 -19.63 7.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.519 ' HG2' HD22 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -58.39 -42.85 88.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.213 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' ' 24' ' ' GLU . 1.7 p -74.13 -37.22 46.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.92 -38.35 82.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.352 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.539 HG23 ' O ' ' A' ' 25' ' ' SER . 24.8 pt -78.88 -33.27 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.964 ' O ' HG23 ' A' ' 34' ' ' VAL . 15.1 t -53.63 -45.45 70.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 110.014 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -70.32 -38.55 74.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -70.02 -51.19 34.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.078 . . . . 0.0 110.29 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.904 HD12 HG22 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -47.01 -34.78 5.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.382 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.964 HG23 ' O ' ' A' ' 30' ' ' SER . 45.3 t -65.64 -39.47 85.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' GLU . 6.2 mm100 -69.54 -23.97 63.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.516 ' HB3' ' ND2' ' A' ' 46' ' ' ASN . 8.6 mmtt -59.25 -31.28 68.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.421 ' HB3' ' O ' ' A' ' 34' ' ' VAL . 2.0 p90 -41.82 -26.82 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.416 ' N ' ' C ' ' A' ' 36' ' ' LYS . 68.5 p -58.27 -40.58 82.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 110.028 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.949 ' O ' HD22 ' A' ' 42' ' ' LEU . 4.4 m-20 -76.29 -31.24 58.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.233 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.2 p -60.09 -12.63 8.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 109.985 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -58.52 -44.36 89.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.343 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.949 HD22 ' O ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -39.57 -88.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.56 10.12 6.44 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.523 1.14 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.449 ' CE1' ' CB ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER 79.65 102.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 0.739 . . . . 0.0 109.615 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.481 ' O ' HG22 ' A' ' 48' ' ' THR . 0.0 OUTLIER -141.45 -46.81 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.168 . . . . 0.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.516 ' ND2' ' HB3' ' A' ' 36' ' ' LYS . 11.4 m120 -75.2 -32.74 61.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.132 . . . . 0.0 109.241 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.449 ' CB ' ' CE1' ' A' ' 44' ' ' HIS . 0.9 OUTLIER -55.49 -31.03 61.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 108.321 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.694 HG23 HD13 ' A' ' 49' ' ' ILE . 0.9 OUTLIER -60.45 -34.86 74.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.904 HG22 HD12 ' A' ' 33' ' ' LEU . 6.2 mm -75.82 -34.31 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 109.321 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.637 ' HA ' HD21 ' A' ' 33' ' ' LEU . 1.5 mtpm? -53.58 -31.62 47.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.663 ' HG2' HD22 ' A' ' 52' ' ' LEU . 7.6 pt-20 -53.6 -33.88 56.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.663 HD22 ' HG2' ' A' ' 51' ' ' GLU . 4.2 mm? -59.63 -49.51 77.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.378 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.786 ' HG3' HD22 ' A' ' 33' ' ' LEU . 16.1 mmm180 -70.5 -42.92 70.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.395 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.412 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.81 0 N-CA-C 111.03 -0.412 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -119.34 -35.65 3.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.749 ' NH1' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -71.86 -32.19 67.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.339 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.412 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -58.56 -35.76 72.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.411 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.1 OUTLIER -70.88 -35.43 72.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 110.998 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.749 HD13 ' NH1' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -54.85 -47.42 74.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.729 ' O ' HG22 ' A' ' 27' ' ' VAL . 0.3 OUTLIER -52.91 -27.37 18.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.357 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.585 ' O ' HG23 ' A' ' 29' ' ' ILE . 1.6 t -55.46 -18.89 7.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.406 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 10.6 pt-20 -58.17 -46.2 86.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.729 HG22 ' O ' ' A' ' 24' ' ' GLU . 5.9 m -74.18 -34.69 38.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.46 -38.86 91.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.585 HG23 ' O ' ' A' ' 25' ' ' SER . 31.1 pt -78.22 -34.0 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 t -56.23 -33.72 65.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.004 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.782 ' O ' HG22 ' A' ' 34' ' ' VAL . 6.7 tp10 -69.23 -45.38 69.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.127 . . . . 0.0 110.268 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 35' ' ' GLN . 8.7 mt-10 -71.96 -36.09 69.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.664 ' CD2' HD22 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -47.26 -31.14 3.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.566 1.166 . . . . 0.0 109.397 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.782 HG22 ' O ' ' A' ' 31' ' ' GLU . 6.4 m -52.37 -37.41 23.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.421 ' HB2' ' O ' ' A' ' 32' ' ' GLU . 35.2 mt-30 -57.49 -25.96 60.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.412 1.07 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 38' ' ' SER . 14.4 mttt -61.69 -25.53 67.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -38.89 -27.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 36' ' ' LYS . 0.3 OUTLIER -53.71 -37.67 63.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.024 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.768 ' HB3' HG23 ' A' ' 45' ' ' VAL . 65.7 m-20 -52.62 -29.13 24.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.418 ' N ' ' HB2' ' A' ' 46' ' ' ASN . 3.0 t -56.92 -14.6 3.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.78 -35.55 72.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.912 HD12 ' HB2' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -96.38 -27.52 14.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.264 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.64 37.9 77.52 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.57 1.169 . . . . 0.0 110.935 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.912 ' HB2' HD12 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -119.88 -80.12 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.62 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.768 HG23 ' HB3' ' A' ' 39' ' ' ASN . 4.1 m -63.91 -37.47 79.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.418 ' HB2' ' N ' ' A' ' 40' ' ' SER . 10.5 t-20 -43.95 -33.65 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -55.72 -41.24 73.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 0.0 108.262 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -75.5 -34.13 60.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.45 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.562 HG23 ' CD1' ' A' ' 33' ' ' LEU . 0.9 OUTLIER -57.66 -41.59 79.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -51.62 -35.29 41.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.075 . . . . 0.0 109.239 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.435 ' N ' ' HG3' ' A' ' 50' ' ' LYS . 23.7 mt-10 -68.55 -40.14 80.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 110.193 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.664 HD22 ' CD2' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -67.89 -47.49 68.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.236 -179.884 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.597 ' CD ' HD12 ' A' ' 33' ' ' LEU . 33.0 mmm-85 -54.55 -45.72 73.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.443 1.089 . . . . 0.0 110.317 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.524 ' HG2' ' HB2' ' A' ' 21' ' ' ALA . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 N-CA-C 110.974 -0.433 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -65.47 -35.88 82.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 111.051 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.6 -31.73 72.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 110.238 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.524 ' HB2' ' HG2' ' A' ' 18' ' ' PRO . . . -58.16 -44.27 87.85 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.5 1.125 . . . . 0.0 109.216 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.42 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -62.62 -35.21 78.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 111.001 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.499 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -54.81 -47.73 73.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.48 ' N ' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -52.89 -27.22 17.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.593 ' O ' HG23 ' A' ' 29' ' ' ILE . 7.3 t -54.88 -19.83 7.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.117 . . . . 0.0 110.008 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -58.46 -27.99 64.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.0 t -73.8 -33.79 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.48 -48.82 53.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.593 HG23 ' O ' ' A' ' 25' ' ' SER . 3.0 pt -59.33 -39.67 79.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.455 ' O ' HG23 ' A' ' 34' ' ' VAL . 73.5 m -55.1 -43.55 74.14 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 110.019 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -69.32 -37.8 77.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 35' ' ' GLN . 71.0 mm-40 -70.73 -44.6 66.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.55 HD21 HG22 ' A' ' 49' ' ' ILE . 12.5 tp -47.19 -32.6 4.54 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' A' ' 37' ' ' TYR . 11.5 t -55.78 -35.96 41.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.5 ' CG ' ' O ' ' A' ' 32' ' ' GLU . 1.2 pp0? -62.03 -23.07 66.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.42 ' C ' ' N ' ' A' ' 38' ' ' SER . 30.7 mmtt -60.15 -32.29 70.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.474 ' HB3' ' O ' ' A' ' 34' ' ' VAL . 1.6 p90 -42.38 -25.58 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -54.69 -36.66 64.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 110.012 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.804 ' O ' HD22 ' A' ' 42' ' ' LEU . 2.4 m120 -49.16 -30.14 6.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.75 -15.88 9.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 110.02 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.9 -36.33 83.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.804 HD22 ' O ' ' A' ' 39' ' ' ASN . 0.1 OUTLIER -75.72 -73.16 0.27 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -168.73 32.32 0.18 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 72.47 113.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 0.793 . . . . 0.0 109.566 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 45' ' ' VAL . 5.9 p -165.61 30.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.469 ' HB2' ' CB ' ' A' ' 39' ' ' ASN . 0.5 OUTLIER 179.79 -33.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.495 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 2.1 t -54.85 -28.71 51.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 108.31 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . 1.025 HG23 HD13 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -70.92 -34.91 71.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.423 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 1.025 HD13 HG23 ' A' ' 48' ' ' THR . 0.9 OUTLIER -78.05 -48.14 23.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.514 ' HA ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -54.39 -34.61 61.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.414 ' OE1' ' HA ' ' A' ' 48' ' ' THR . 1.8 pt-20 -55.43 -32.35 62.65 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.526 1.142 . . . . 0.0 110.256 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.5 tp -58.88 -54.37 47.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.364 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.529 ' HG3' HD22 ' A' ' 33' ' ' LEU . 31.0 mmt180 -71.39 -33.62 69.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.344 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.434 ' HB2' HG22 ' A' ' 34' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.547 ' HG2' ' HB2' ' A' ' 21' ' ' ALA . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 110.981 -0.431 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -74.69 -35.45 62.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -31.68 72.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.107 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.547 ' HB2' ' HG2' ' A' ' 18' ' ' PRO . . . -58.1 -42.59 86.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.412 ' O ' ' CB ' ' A' ' 25' ' ' SER . 3.9 m-85 -64.44 -35.39 80.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.543 HD23 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -54.98 -47.54 74.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.437 1.086 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.753 ' O ' HG22 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -52.96 -27.2 17.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.36 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.549 ' O ' HG23 ' A' ' 29' ' ' ILE . 4.1 t -54.91 -19.73 7.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -58.47 -27.88 64.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.364 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.753 HG22 ' O ' ' A' ' 24' ' ' GLU . 6.3 m -74.02 -35.18 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.66 -34.53 78.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.549 HG23 ' O ' ' A' ' 25' ' ' SER . 1.9 pt -79.74 -35.63 16.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.909 ' O ' HG23 ' A' ' 34' ' ' VAL . 8.9 t -54.1 -52.41 61.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.405 1.065 . . . . 0.0 110.027 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -35.64 75.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.52 -50.37 69.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.684 HD11 ' CD1' ' A' ' 49' ' ' ILE . 1.7 tm? -52.1 -42.61 63.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 30' ' ' SER . 12.0 t -58.52 -38.13 68.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.449 1.093 . . . . 0.0 109.347 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -63.65 -26.25 68.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.353 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -65.01 -31.22 72.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -41.35 -27.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.2 t -55.38 -38.71 69.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.042 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.89 ' O ' HD22 ' A' ' 42' ' ' LEU . 5.8 t30 -69.43 -30.79 68.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.1 p -58.26 -15.63 10.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 110.024 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.52 -39.55 91.43 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.89 HD22 ' O ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -53.86 -83.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -129.71 22.47 4.89 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.443 1.089 . . . . 0.0 110.967 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.5 m80 65.63 44.73 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 0.794 . . . . 0.0 109.6 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.2 m -77.99 -19.61 13.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.349 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.477 HD22 HD11 ' A' ' 49' ' ' ILE . 0.6 OUTLIER -95.5 -32.24 12.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.365 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.61 -30.61 61.2 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 1.128 . . . . 0.0 108.307 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.519 ' CG2' ' N ' ' A' ' 49' ' ' ILE . 1.3 t -66.25 -52.28 49.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.423 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.964 HD12 ' N ' ' A' ' 50' ' ' LYS . 1.9 pp -71.74 -30.05 36.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 0.0 109.371 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.964 ' N ' HD12 ' A' ' 49' ' ' ILE . 1.4 mtpm? -49.51 -30.0 7.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.203 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -52.39 -30.49 29.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.71 -56.83 16.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.479 ' CZ ' ' HG ' ' A' ' 33' ' ' LEU . 86.6 mmt-85 -59.32 -41.77 89.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 110.263 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.23 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.689 ' HG2' ' HB2' ' A' ' 21' ' ' ALA . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 110.988 -0.428 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -85.75 -35.59 20.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.55 -31.79 68.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.689 ' HB2' ' HG2' ' A' ' 18' ' ' PRO . . . -58.51 -35.74 72.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.407 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.1 OUTLIER -74.26 -35.54 63.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.999 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -54.98 -47.6 74.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.999 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -52.79 -27.1 16.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.344 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . 1.019 ' O ' HG23 ' A' ' 29' ' ' ILE . 7.9 t -55.13 -19.5 7.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.075 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.5 ' HG2' HD22 ' A' ' 23' ' ' LEU . 2.1 pp20? -58.16 -43.51 87.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.28 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.46 HG12 ' O ' ' A' ' 24' ' ' GLU . 1.3 p -74.33 -35.09 38.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.569 1.168 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.87 -38.2 88.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.247 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 1.019 HG23 ' O ' ' A' ' 25' ' ' SER . 6.3 pt -78.76 -33.64 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . 1.02 ' O ' HG13 ' A' ' 34' ' ' VAL . 3.4 t -52.77 -52.95 54.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.396 1.06 . . . . 0.0 110.004 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.643 ' HA ' HG22 ' A' ' 34' ' ' VAL . 8.2 tt0 -60.83 -35.06 75.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.478 ' HA ' ' HG2' ' A' ' 35' ' ' GLN . 0.5 OUTLIER -73.53 -30.75 63.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.309 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.677 ' C ' HD13 ' A' ' 33' ' ' LEU . 2.1 tm? -83.43 -49.67 9.07 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.02 HG13 ' O ' ' A' ' 30' ' ' SER . 5.0 m -54.78 -41.78 58.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.478 ' HG2' ' HA ' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -57.8 -22.67 48.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 2.0 mtpt -64.55 -31.67 72.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.545 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.8 OUTLIER -42.05 -26.2 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.545 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 98.0 p -56.68 -36.56 69.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.023 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.523 ' HB3' HG11 ' A' ' 45' ' ' VAL . 2.0 m-20 -56.75 -28.64 61.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -57.01 -16.74 7.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.21 -35.2 77.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.41 1.069 . . . . 0.0 109.238 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.493 ' N ' HD12 ' A' ' 42' ' ' LEU . 4.7 mp -56.71 -85.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.54 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . -129.99 4.95 6.07 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.456 1.097 . . . . 0.0 111.066 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.54 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 1.5 t60 90.33 63.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 0.746 . . . . 0.0 109.567 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 48' ' ' THR . 12.5 p -86.55 -19.43 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 45' ' ' VAL . 3.0 t-20 -39.93 -30.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -51.67 -43.97 62.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 108.34 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.535 ' N ' ' O ' ' A' ' 45' ' ' VAL . 1.1 t -70.7 -34.66 72.19 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 0.0 110.352 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.629 HG22 ' HD2' ' A' ' 53' ' ' ARG . 1.3 mp -63.57 -32.41 56.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.446 ' HA ' ' CD ' ' A' ' 53' ' ' ARG . 22.9 mtpt -50.93 -34.39 28.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.865 ' HG2' HD22 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -64.96 -35.28 80.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.279 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.865 HD22 ' HG2' ' A' ' 51' ' ' GLU . 2.4 mm? -68.57 -58.48 4.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.629 ' HD2' HG22 ' A' ' 49' ' ' ILE . 1.1 ptm180 -65.49 -33.39 75.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.827 0 N-CA-C 111.038 -0.408 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -175.75 -37.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.448 ' CD ' ' H ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -75.06 -46.19 36.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.248 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.51 -34.29 66.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.408 ' O ' ' CB ' ' A' ' 25' ' ' SER . 7.2 m-85 -76.56 -34.73 58.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.624 HD23 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -55.19 -47.83 74.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.841 ' O ' HG22 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -53.25 -27.2 21.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 22' ' ' TYR . 2.4 t -54.88 -19.15 5.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.024 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 8.3 pt-20 -58.67 -45.24 89.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.231 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.841 HG22 ' O ' ' A' ' 24' ' ' GLU . 17.2 m -73.43 -34.18 42.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.07 -38.17 87.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.3 pt -78.42 -33.73 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.808 ' O ' HG13 ' A' ' 34' ' ' VAL . 11.4 m -54.13 -32.8 56.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.976 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.548 ' O ' HG22 ' A' ' 34' ' ' VAL . 14.1 tt0 -69.48 -49.16 57.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -72.4 -45.99 57.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.808 HD11 ' HB3' ' A' ' 53' ' ' ARG . 0.5 OUTLIER -47.41 -58.67 3.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.808 HG13 ' O ' ' A' ' 30' ' ' SER . 11.5 m -56.3 -37.67 51.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -62.6 -26.23 68.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.418 ' C ' ' N ' ' A' ' 38' ' ' SER . 7.8 mttt -60.9 -30.21 70.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -41.19 -27.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 110.998 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 36' ' ' LYS . 0.2 OUTLIER -55.6 -37.26 67.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.414 1.071 . . . . 0.0 109.987 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.76 ' HB3' HG13 ' A' ' 45' ' ' VAL . 16.3 m-20 -52.59 -30.7 32.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.492 ' N ' ' ND2' ' A' ' 46' ' ' ASN . 0.3 OUTLIER -59.12 -13.71 7.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.011 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.55 -36.89 74.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.694 HD12 ' HB2' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -97.94 -31.77 12.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.18 -0.76 89.56 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.552 1.158 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.694 ' HB2' HD12 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -107.82 60.99 0.61 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 0.774 . . . . 0.0 109.521 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.76 HG13 ' HB3' ' A' ' 39' ' ' ASN . 0.2 OUTLIER 170.44 -45.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.492 ' ND2' ' N ' ' A' ' 40' ' ' SER . 0.4 OUTLIER -45.53 -33.75 2.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.574 1.171 . . . . 0.0 109.32 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.543 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 1.2 m -57.1 -43.71 82.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 108.359 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 45' ' ' VAL . 0.9 OUTLIER -74.1 -34.24 63.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.392 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.667 HD12 HD12 ' A' ' 52' ' ' LEU . 2.9 mm -57.89 -32.89 44.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.382 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.543 ' CG ' ' O ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -50.69 -35.73 32.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.33 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -66.83 -36.96 83.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.3 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.667 HD12 HD12 ' A' ' 49' ' ' ILE . 49.4 mt -67.35 -56.81 8.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.808 ' HB3' HD11 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -66.85 -33.6 75.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 110.27 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 50' ' ' LYS . 34.2 ptt180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.438 ' HB2' ' HB2' ' A' ' 21' ' ' ALA . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.432 ' O ' ' HB3' ' A' ' 22' ' ' TYR . 0.7 OUTLIER -84.05 -54.42 4.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.421 1.076 . . . . 0.0 111.022 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.533 ' CD ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -56.63 -27.49 58.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.533 ' N ' ' CD ' ' A' ' 20' ' ' ARG . . . -58.37 -34.54 70.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.432 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -76.28 -36.46 58.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 111.024 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.973 HD23 ' N ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -55.82 -47.3 77.42 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.478 1.111 . . . . 0.0 109.225 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.973 ' N ' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -52.39 -27.25 14.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.29 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.571 ' O ' HG23 ' A' ' 29' ' ' ILE . 4.6 t -55.1 -19.17 6.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 110.047 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 6.5 pt-20 -58.28 -41.92 85.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 24' ' ' GLU . 2.3 p -74.01 -36.89 46.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.42 -37.48 78.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.571 HG23 ' O ' ' A' ' 25' ' ' SER . 8.9 pt -79.23 -33.8 15.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.854 ' O ' HG13 ' A' ' 34' ' ' VAL . 3.7 p -54.16 -45.61 72.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.996 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.645 ' O ' HG22 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -64.86 -35.65 81.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 110.345 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -73.98 -52.01 14.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.045 HD11 HG22 ' A' ' 49' ' ' ILE . 0.4 OUTLIER -49.79 -52.22 33.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.854 HG13 ' O ' ' A' ' 30' ' ' SER . 16.5 m -55.1 -35.02 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -69.19 -24.57 64.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 1.0 OUTLIER -60.92 -31.92 71.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 38' ' ' SER . 1.4 p90 -41.91 -26.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.162 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.447 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 2.9 m -55.14 -37.54 67.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 0.0 110.008 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.767 ' O ' HD12 ' A' ' 42' ' ' LEU . 4.8 m-20 -71.41 -29.81 65.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.7 p -57.68 -11.53 2.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.971 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.47 -34.58 64.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.258 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.767 HD12 ' O ' ' A' ' 39' ' ' ASN . 1.0 OUTLIER -41.62 -78.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.47 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . -149.34 18.28 1.17 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.485 1.116 . . . . 0.0 111.027 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.548 ' CD2' ' HB3' ' A' ' 47' ' ' CYS . 2.1 t60 86.22 105.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 109.602 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.539 HG13 ' N ' ' A' ' 46' ' ' ASN . 12.4 p -153.0 -54.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.539 ' N ' HG13 ' A' ' 45' ' ' VAL . 1.7 m-80 -68.04 -33.13 74.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.273 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.548 ' HB3' ' CD2' ' A' ' 44' ' ' HIS . 27.1 t -56.28 -29.68 61.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 108.279 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.603 HG22 HD12 ' A' ' 49' ' ' ILE . 0.8 OUTLIER -75.92 -34.24 59.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 110.398 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 1.045 HG22 HD11 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -72.65 -38.88 59.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.238 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.727 ' HA ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -51.47 -32.85 28.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.472 ' N ' ' HG3' ' A' ' 50' ' ' LYS . 3.4 mt-10 -55.21 -32.81 62.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.0 -54.48 46.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.468 ' CG ' ' HG ' ' A' ' 33' ' ' LEU . 22.4 mmm180 -73.6 -40.59 63.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 110.25 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.272 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo . . . . . 0 N--CA 1.454 -0.844 0 N-CA-C 110.974 -0.433 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -91.95 -44.48 8.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.445 ' HG2' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -59.15 -32.09 69.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.342 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.445 ' N ' ' HG2' ' A' ' 20' ' ' ARG . . . -58.92 -34.67 71.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -75.88 -36.27 59.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.019 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -55.83 -47.48 77.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 1.019 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -52.86 -27.41 18.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.262 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 t -55.18 -18.94 6.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.051 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.52 ' HG2' HD22 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -57.82 -36.7 72.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.671 HG22 ' O ' ' A' ' 24' ' ' GLU . 3.5 m -73.93 -36.39 45.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.92 -37.76 77.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.589 HD12 HH21 ' A' ' 53' ' ' ARG . 41.5 pt -79.5 -33.75 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . 1.032 ' O ' HG23 ' A' ' 34' ' ' VAL . 17.8 m -54.1 -39.35 66.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -65.9 -48.43 71.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.08 -36.72 75.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.407 1.067 . . . . 0.0 110.37 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.037 ' O ' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -61.16 -41.77 97.37 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.032 HG23 ' O ' ' A' ' 30' ' ' SER . 82.1 t -56.49 -37.9 53.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -65.61 -26.15 67.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.246 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.85 ' HE3' HD23 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -60.18 -30.7 69.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -41.38 -25.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 111.013 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 36' ' ' LYS . 0.3 OUTLIER -54.92 -36.81 65.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.943 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.768 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.6 t-20 -67.32 -31.19 71.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.419 ' N ' ' HB2' ' A' ' 46' ' ' ASN . 1.4 t -58.14 -11.86 2.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.432 ' C ' ' N ' ' A' ' 43' ' ' GLY . . . -56.64 -32.77 65.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.768 HD12 ' O ' ' A' ' 39' ' ' ASN . 1.1 mt -42.7 -28.21 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.176 . . . . 0.0 109.243 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.586 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . 147.06 -28.36 1.55 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.557 1.161 . . . . 0.0 111.004 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.586 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER 155.69 118.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 109.576 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.539 HG13 ' N ' ' A' ' 46' ' ' ASN . 7.6 p -177.64 -55.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.418 1.073 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.539 ' N ' HG13 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -75.24 -33.95 61.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.529 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 17.7 t -57.49 -29.94 64.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.259 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.61 HG22 ' CD1' ' A' ' 49' ' ' ILE . 0.8 OUTLIER -75.58 -34.33 60.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.582 1.176 . . . . 0.0 110.395 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.61 ' CD1' HG22 ' A' ' 48' ' ' THR . 0.7 OUTLIER -75.86 -48.63 28.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.781 ' HA ' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -54.96 -31.65 60.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 47' ' ' CYS . 1.6 mm-40 -54.2 -32.42 55.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.1 tp -57.33 -53.68 55.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.669 ' CG ' HD12 ' A' ' 33' ' ' LEU . 10.3 mmt-85 -73.91 -34.7 64.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.403 ' HD2' ' HD3' ' A' ' 20' ' ' ARG . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.811 0 N-CA-C 110.948 -0.443 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -73.52 -35.24 65.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.544 ' CD ' ' H ' ' A' ' 20' ' ' ARG . 1.4 mpt_? -59.36 -42.14 90.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.313 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.49 -40.91 79.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.462 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -77.25 -35.33 55.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 111.025 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.749 HD23 ' N ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -53.86 -45.01 70.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.123 . . . . 0.0 109.38 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 1.014 ' O ' HG22 ' A' ' 27' ' ' VAL . 0.3 OUTLIER -52.1 -27.61 14.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.358 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.2 t -55.27 -19.11 7.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.966 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 1.5 pp20? -57.99 -27.49 63.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 1.014 HG22 ' O ' ' A' ' 24' ' ' GLU . 34.4 m -67.04 -34.93 73.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.62 -40.81 84.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 30' ' ' SER . 11.8 pt -79.42 -33.44 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . 1.01 ' O ' HG23 ' A' ' 34' ' ' VAL . 22.3 t -53.51 -44.53 69.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.972 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 9.3 pt-20 -69.56 -40.53 76.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.256 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 35' ' ' GLN . 2.6 mm-40 -70.19 -50.81 36.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.598 1.186 . . . . 0.0 110.345 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.062 ' O ' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -47.37 -33.85 6.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.396 1.06 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.01 HG23 ' O ' ' A' ' 30' ' ' SER . 81.0 t -58.82 -38.36 72.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' GLU . 15.5 mt-30 -66.36 -23.46 66.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.432 ' C ' ' N ' ' A' ' 38' ' ' SER . 3.8 mmtp -66.84 -31.01 71.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.553 ' CD1' ' O ' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -42.29 -24.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 111.027 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.549 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -54.68 -38.59 67.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 110.019 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.928 ' O ' HD22 ' A' ' 42' ' ' LEU . 2.0 m-20 -54.7 -31.49 58.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.243 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.467 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 0.9 OUTLIER -60.18 -12.8 9.52 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.473 1.108 . . . . 0.0 109.977 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.8 -45.33 90.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.928 HD22 ' O ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -42.59 -86.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.605 ' O ' ' CD2' ' A' ' 44' ' ' HIS . . . -129.8 8.58 6.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.605 ' CD2' ' O ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER 85.54 115.3 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.423 0.719 . . . . 0.0 109.613 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.609 HG13 ' H ' ' A' ' 46' ' ' ASN . 2.8 p -163.35 -59.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.08 . . . . 0.0 109.236 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.609 ' H ' HG13 ' A' ' 45' ' ' VAL . 1.5 m-80 -58.87 -33.05 70.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.483 ' HA ' ' CG ' ' A' ' 50' ' ' LYS . 28.9 p -56.07 -32.27 63.95 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 108.3 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.641 HG22 HD12 ' A' ' 49' ' ' ILE . 0.7 OUTLIER -76.04 -34.8 59.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.359 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.641 HD12 HG22 ' A' ' 48' ' ' THR . 1.2 mp -76.0 -48.13 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.78 ' HA ' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -55.62 -32.74 63.38 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.415 ' N ' ' HD2' ' A' ' 50' ' ' LYS . 3.4 pt-20 -54.13 -31.21 51.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.335 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 49.8 mt -57.74 -54.16 50.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.635 ' HB2' HD12 ' A' ' 33' ' ' LEU . 10.7 mmt-85 -73.54 -40.67 63.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.32 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 110.32 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.52 ' HG2' ' CD ' ' A' ' 20' ' ' ARG . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.836 0 N-CA-C 111.008 -0.42 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -170.68 -50.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.52 ' CD ' ' HG2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -65.41 -31.04 71.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.358 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.469 ' HB2' ' NH1' ' A' ' 20' ' ' ARG . . . -58.07 -34.19 69.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.355 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.401 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.3 OUTLIER -75.54 -35.79 60.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.97 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.997 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -55.58 -47.08 77.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.33 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.997 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -52.77 -27.06 16.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.25 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.503 ' O ' HG23 ' A' ' 29' ' ' ILE . 5.2 m -54.91 -19.47 6.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.488 ' OE2' HG22 ' A' ' 27' ' ' VAL . 1.9 pp20? -58.06 -27.52 63.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.488 HG22 ' OE2' ' A' ' 26' ' ' GLU . 21.9 t -73.69 -32.91 36.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.425 ' O ' ' CG ' ' A' ' 31' ' ' GLU . . . -70.09 -42.92 72.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.503 HG23 ' O ' ' A' ' 25' ' ' SER . 2.8 pt -68.34 -38.54 79.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.58 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -56.52 -49.59 74.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.026 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 28' ' ' ALA . 9.8 pt-20 -66.57 -35.25 79.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 1.6 mt-10 -71.67 -48.61 46.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 1.039 HD22 HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -44.58 -34.99 2.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 30' ' ' SER . 3.3 t -56.85 -45.31 83.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 3.0 pt20 -69.0 -26.64 65.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.469 ' CG ' ' HA ' ' A' ' 33' ' ' LEU . 1.5 mmmm -60.14 -30.09 69.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.573 ' CD1' ' HD3' ' A' ' 50' ' ' LYS . 3.2 t80 -42.48 -25.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 111.064 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -60.37 -37.44 80.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.942 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.8 ' O ' HD12 ' A' ' 42' ' ' LEU . 2.0 m-20 -55.09 -30.9 60.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.466 ' N ' ' HB2' ' A' ' 46' ' ' ASN . 0.4 OUTLIER -57.96 -11.86 2.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.955 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.45 -33.89 66.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.8 HD12 ' O ' ' A' ' 39' ' ' ASN . 0.9 OUTLIER -44.86 -79.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . -145.58 15.95 1.82 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.461 1.101 . . . . 0.0 111.038 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.501 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 1.9 t60 88.92 48.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.764 . . . . 0.0 109.612 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.525 HG23 ' N ' ' A' ' 46' ' ' ASN . 17.5 m -88.95 -53.04 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.705 ' OD1' HD11 ' A' ' 49' ' ' ILE . 0.4 OUTLIER -44.36 -27.08 0.39 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.59 1.181 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.426 ' N ' ' C ' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -49.45 -30.54 8.25 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.442 1.089 . . . . 0.0 108.233 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.488 HG23 HG23 ' A' ' 49' ' ' ILE . 9.4 t -67.28 -51.74 49.14 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.537 1.148 . . . . 0.0 110.412 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.928 HD12 ' N ' ' A' ' 50' ' ' LYS . 1.8 pp -75.68 -26.65 18.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.348 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.928 ' N ' HD12 ' A' ' 49' ' ' ILE . 6.0 mmmt -46.24 -30.58 2.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.419 1.074 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.43 -30.07 27.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.358 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 1.039 HD23 HD22 ' A' ' 33' ' ' LEU . 5.5 tp -57.99 -50.1 74.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.618 ' HG3' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -53.7 -45.68 70.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 110.257 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.701 ' HD2' ' HB2' ' A' ' 21' ' ' ALA . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.929 0 N-CA-C 111.093 -0.387 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -52.44 -32.2 38.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.584 1.178 . . . . 0.0 111.036 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.526 ' CD ' ' H ' ' A' ' 20' ' ' ARG . 2.5 mpt_? -71.16 -45.21 63.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.402 1.064 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.701 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . . . -57.13 -40.43 77.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.416 ' O ' ' CB ' ' A' ' 25' ' ' SER . 5.9 m-85 -77.79 -35.42 51.53 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.569 1.168 . . . . 0.0 111.019 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.935 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -54.54 -47.66 72.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.255 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 1.033 ' O ' HG22 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -52.62 -27.39 16.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.273 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 22' ' ' TYR . 6.0 t -55.24 -18.53 6.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -56.81 -27.7 60.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 1.033 HG22 ' O ' ' A' ' 24' ' ' GLU . 26.8 m -73.31 -33.87 42.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.53 -39.08 93.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.891 ' O ' HD22 ' A' ' 33' ' ' LEU . 6.9 pt -79.18 -36.22 18.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.698 ' O ' HG23 ' A' ' 34' ' ' VAL . 22.9 t -48.85 -41.51 33.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 110.016 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -72.69 -35.94 67.76 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' GLN . 1.0 OUTLIER -72.08 -51.06 23.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.373 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.891 HD22 ' O ' ' A' ' 29' ' ' ILE . 0.5 OUTLIER -44.93 -32.44 1.62 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 30' ' ' SER . 2.3 t -61.49 -44.11 98.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' GLU . 1.8 pt20 -66.34 -26.67 67.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.331 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.437 ' C ' ' N ' ' A' ' 38' ' ' SER . 18.2 mmtt -60.68 -29.82 69.54 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -41.72 -25.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.409 1.068 . . . . 0.0 110.998 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.437 ' N ' ' C ' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -54.17 -37.06 64.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.025 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -62.59 -30.01 71.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.476 ' HB3' ' CB ' ' A' ' 47' ' ' CYS . 0.7 OUTLIER -58.02 -15.81 10.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.966 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.464 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -59.32 -43.38 92.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.88 HD23 ' N ' ' A' ' 43' ' ' GLY . 1.0 OUTLIER -35.77 -65.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.88 ' N ' HD23 ' A' ' 42' ' ' LEU . . . -166.1 27.74 0.18 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.556 1.16 . . . . 0.0 111.058 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 40' ' ' SER . 0.0 OUTLIER 70.79 72.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 0.737 . . . . 0.0 109.557 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.52 ' O ' HG22 ' A' ' 48' ' ' THR . 0.0 OUTLIER -123.46 -42.12 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -80.03 -33.43 39.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.476 ' CB ' ' HB3' ' A' ' 40' ' ' SER . 4.9 t -55.8 -31.67 62.85 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.527 1.142 . . . . 0.0 108.275 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.53 HG23 HD12 ' A' ' 49' ' ' ILE . 1.1 t -60.4 -36.52 78.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 110.438 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.587 HG22 ' HE3' ' A' ' 50' ' ' LYS . 1.3 mp -76.35 -32.56 22.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.587 ' HE3' HG22 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -52.16 -33.15 39.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.071 . . . . 0.0 109.272 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.47 -33.37 59.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 0.0 110.258 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.9 mt -65.73 -45.56 82.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.485 ' HA ' ' CZ ' ' A' ' 53' ' ' ARG . 1.7 mmp_? -75.54 -36.25 60.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.203 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 110.969 -0.435 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -150.89 -44.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.22 -31.74 73.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.43 -44.65 89.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -62.36 -35.55 79.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.922 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.008 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -55.0 -47.48 74.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 1.008 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -52.77 -27.53 18.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 22' ' ' TYR . 7.3 t -55.2 -18.97 6.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.591 ' CD ' HG13 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -58.15 -38.81 77.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.99 HG22 ' O ' ' A' ' 24' ' ' GLU . 35.5 m -73.68 -32.76 36.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.442 ' O ' ' CG ' ' A' ' 31' ' ' GLU . . . -62.65 -37.57 86.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.621 1.201 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.431 HG13 ' N ' ' A' ' 30' ' ' SER . 9.4 pt -79.04 -33.99 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.783 ' O ' HG23 ' A' ' 34' ' ' VAL . 47.0 t -54.45 -44.94 72.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.442 ' CG ' ' O ' ' A' ' 28' ' ' ALA . 7.3 pt-20 -67.32 -39.5 85.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.437 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 37.8 mt-10 -70.33 -36.89 74.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.553 HD11 HG22 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -61.93 -34.99 77.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.376 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 30' ' ' SER . 57.9 t -71.26 -36.91 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -67.32 -25.92 66.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.435 ' HG3' ' ND2' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -63.58 -30.86 71.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.587 1.179 . . . . 0.0 109.266 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 34' ' ' VAL . 0.5 OUTLIER -45.18 -21.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.532 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 2.8 m -53.8 -38.55 64.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.997 ' O ' HD22 ' A' ' 42' ' ' LEU . 2.4 t-20 -59.7 -29.62 68.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.497 ' CB ' ' HB2' ' A' ' 47' ' ' CYS . 1.1 p -58.17 -12.09 3.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.033 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.8 -39.36 73.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.997 HD22 ' O ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -46.35 -86.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 109.233 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . -126.95 3.83 7.4 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 4.1 t60 87.36 103.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 109.602 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.437 ' O ' ' HB ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -151.04 -61.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.453 1.096 . . . . 0.0 109.35 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.486 ' ND2' ' CB ' ' A' ' 39' ' ' ASN . 7.0 m-20 -54.99 -32.71 61.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.363 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 49.7 t -56.42 -31.99 64.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 108.323 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.656 HG22 HD12 ' A' ' 49' ' ' ILE . 0.6 OUTLIER -75.62 -32.72 60.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.354 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.656 HD12 HG22 ' A' ' 48' ' ' THR . 0.7 OUTLIER -68.23 -40.8 83.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.355 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -51.71 -31.14 25.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' ' 50' ' ' LYS . 9.3 mt-10 -53.64 -34.09 57.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 5.1 mp -60.59 -53.01 62.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.478 ' HG3' ' CB ' ' A' ' 33' ' ' LEU . 9.6 mmm180 -73.47 -34.26 65.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.411 1.069 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.176 . . . . 0.0 110.291 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.784 ' HG2' ' HB2' ' A' ' 21' ' ' ALA . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.908 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -103.81 -35.23 8.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.54 ' CD ' ' H ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -75.29 -30.09 60.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.784 ' HB2' ' HG2' ' A' ' 18' ' ' PRO . . . -54.22 -33.62 58.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -75.5 -34.28 60.83 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.434 1.084 . . . . 0.0 110.987 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.019 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -58.19 -47.38 83.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 1.019 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -52.84 -27.14 16.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 110.272 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.697 ' O ' HG23 ' A' ' 29' ' ' ILE . 5.3 t -54.98 -19.46 6.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.964 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.544 ' HG2' HD22 ' A' ' 23' ' ' LEU . 2.0 pp20? -58.3 -43.96 88.35 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.151 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 24' ' ' GLU . 1.4 p -74.01 -38.72 49.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.341 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.464 ' O ' ' CG ' ' A' ' 31' ' ' GLU . . . -58.3 -38.35 76.89 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.697 HG23 ' O ' ' A' ' 25' ' ' SER . 10.9 pt -78.49 -34.4 18.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.347 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.797 ' O ' HG13 ' A' ' 34' ' ' VAL . 1.1 t -55.19 -44.78 75.63 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.597 1.185 . . . . 0.0 109.979 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.525 ' O ' HG22 ' A' ' 34' ' ' VAL . 7.5 pt-20 -66.91 -39.15 87.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.431 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -70.92 -36.88 72.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.71 HD21 ' HB3' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -64.1 -54.76 28.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.797 HG13 ' O ' ' A' ' 30' ' ' SER . 5.7 m -56.92 -37.51 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -70.7 -26.3 63.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.349 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 38' ' ' SER . 1.2 ptmt -71.91 -28.71 63.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.621 ' CD1' ' O ' ' A' ' 34' ' ' VAL . 0.6 OUTLIER -40.86 -25.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.563 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -53.65 -34.99 60.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 110.024 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.859 ' HB3' HG11 ' A' ' 45' ' ' VAL . 91.5 m-20 -48.16 -30.34 4.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.412 ' HB2' ' ND2' ' A' ' 46' ' ' ASN . 8.4 t -56.98 -18.45 13.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.024 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -60.94 -43.66 98.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.827 ' C ' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -38.02 -31.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.46 ' O ' ' CG ' ' A' ' 44' ' ' HIS . . . 137.74 -9.57 3.68 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' A' ' 43' ' ' GLY . 0.3 OUTLIER 167.32 105.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 109.623 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.859 HG11 ' HB3' ' A' ' 39' ' ' ASN . 21.2 t -152.09 -49.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.365 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.412 ' ND2' ' HB2' ' A' ' 40' ' ' SER . 1.9 m-20 -42.44 -32.37 0.53 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.522 ' O ' ' CD ' ' A' ' 50' ' ' LYS . 5.9 t -55.58 -46.32 77.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 108.309 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 45' ' ' VAL . 1.8 m -74.94 -32.71 61.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.383 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.859 HG22 ' HD2' ' A' ' 53' ' ' ARG . 2.0 mm -56.3 -31.4 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.522 ' CD ' ' O ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -49.06 -33.33 11.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.232 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.937 ' HG2' HD22 ' A' ' 52' ' ' LEU . 3.4 pt-20 -69.85 -37.54 76.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.937 HD22 ' HG2' ' A' ' 51' ' ' GLU . 2.4 mm? -67.6 -58.58 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.859 ' HD2' HG22 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -67.79 -35.99 79.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.42 1.075 . . . . 0.0 110.275 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 50' ' ' LYS . 29.4 ptt180 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.269 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.792 ' HD2' ' HB3' ' A' ' 21' ' ' ALA . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.828 0 N-CA-C 110.966 -0.436 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 179.3 -55.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.572 ' CD ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -73.5 -28.09 61.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.352 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.792 ' HB3' ' HD2' ' A' ' 18' ' ' PRO . . . -58.46 -32.82 69.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.423 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -69.58 -36.46 76.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.936 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.008 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -55.77 -47.41 77.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.377 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 1.008 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -52.67 -26.98 15.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.545 1.153 . . . . 0.0 110.332 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 22' ' ' TYR . 8.1 t -54.96 -19.28 6.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.571 ' HG2' HD22 ' A' ' 23' ' ' LEU . 1.3 pp20? -58.07 -40.44 81.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 110.258 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 24' ' ' GLU . 1.3 p -73.75 -40.99 54.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.45 -40.0 81.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.16 . . . . 0.0 109.334 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.2 pt -78.66 -33.99 17.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.4 m -54.41 -33.22 58.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.506 ' O ' HG23 ' A' ' 34' ' ' VAL . 16.0 tt0 -70.01 -49.69 48.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.267 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -70.95 -36.99 72.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.85 HD21 ' HG2' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -50.66 -22.73 2.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.563 1.165 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 31' ' ' GLU . 61.9 t -56.12 -38.16 52.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -58.62 -25.52 62.76 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 38' ' ' SER . 26.1 mmmt -60.25 -30.09 69.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.224 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -41.62 -26.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 36' ' ' LYS . 16.7 m -54.72 -37.24 65.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.061 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.936 ' HB3' HG23 ' A' ' 45' ' ' VAL . 32.6 m120 -48.5 -30.73 5.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.449 ' N ' ' OD1' ' A' ' 46' ' ' ASN . 0.3 OUTLIER -58.64 -13.84 6.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.084 . . . . 0.0 110.002 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.648 ' C ' HD13 ' A' ' 42' ' ' LEU . . . -58.99 -36.6 75.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.814 HD22 ' O ' ' A' ' 39' ' ' ASN . 0.0 OUTLIER -98.49 -18.24 18.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 66.37 54.65 22.26 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 -139.17 -102.14 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 0.0 109.607 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.936 HG23 ' HB3' ' A' ' 39' ' ' ASN . 2.5 m -41.42 -34.63 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 40' ' ' SER . 3.6 t30 -45.06 -33.94 2.33 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -56.34 -43.77 79.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.601 1.188 . . . . 0.0 108.287 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.546 HG22 ' CD1' ' A' ' 49' ' ' ILE . 0.6 OUTLIER -71.45 -35.23 70.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.356 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.546 ' CD1' HG22 ' A' ' 48' ' ' THR . 1.2 mp -58.92 -35.16 55.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -55.61 -36.36 66.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -34.12 70.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.466 ' HB2' HD11 ' A' ' 33' ' ' LEU . 25.1 mt -61.91 -56.64 17.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.85 ' HG2' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -77.45 -33.35 54.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.225 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 110.963 -0.437 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -116.87 -37.61 3.58 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.42 1.075 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.431 ' HG2' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -63.93 -31.47 72.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.332 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.431 ' N ' ' HG2' ' A' ' 20' ' ' ARG . . . -58.4 -34.42 70.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -75.17 -35.91 61.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.019 HD23 ' N ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -55.64 -47.23 76.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 1.031 ' O ' HG22 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -52.59 -27.74 18.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.6 t -55.39 -18.5 6.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.142 . . . . 0.0 109.949 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -57.62 -30.57 65.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.12 . . . . 0.0 110.317 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 1.031 HG22 ' O ' ' A' ' 24' ' ' GLU . 35.2 m -74.86 -33.21 29.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.02 -39.7 75.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.419 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 3.7 pt -79.83 -30.51 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.353 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.823 ' O ' HG22 ' A' ' 34' ' ' VAL . 0.8 OUTLIER -48.38 -44.78 35.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.978 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.457 ' HA ' ' CG2' ' A' ' 34' ' ' VAL . 3.4 pt-20 -71.86 -32.06 67.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 0.0 110.256 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 36' ' ' LYS . 2.7 mm-40 -70.57 -54.58 11.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.257 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.815 HD21 ' HA ' ' A' ' 30' ' ' SER . 1.7 pp -52.99 -56.79 13.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.823 HG22 ' O ' ' A' ' 30' ' ' SER . 30.4 m -54.96 -38.23 44.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.425 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 7.0 mm100 -71.25 -30.13 65.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.404 1.065 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.56 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -60.8 -29.42 69.44 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.429 1.08 . . . . 0.0 109.349 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -54.08 -18.17 3.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 111.027 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.568 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 1.6 m -58.32 -38.61 77.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.99 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.952 ' O ' HD22 ' A' ' 42' ' ' LEU . 4.0 m-80 -54.89 -30.06 57.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.1 t -58.03 -13.17 4.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 0.0 110.003 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.89 -35.72 73.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.952 HD22 ' O ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -56.59 -20.83 22.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.556 ' O ' ' CG ' ' A' ' 44' ' ' HIS . . . 133.04 -32.17 2.79 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.451 1.095 . . . . 0.0 111.05 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER 159.12 122.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.618 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.498 ' O ' ' CG2' ' A' ' 48' ' ' THR . 8.6 p -177.93 -37.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.463 ' HB2' ' CB ' ' A' ' 39' ' ' ASN . 0.6 OUTLIER -102.3 -30.35 11.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.5 t -53.14 -30.79 38.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 108.256 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.929 HG23 HD13 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -59.84 -40.69 89.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.33 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.929 HD13 HG23 ' A' ' 48' ' ' THR . 1.2 mp -76.74 -33.11 21.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.233 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.71 -31.48 26.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.341 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.471 ' HG2' ' CD2' ' A' ' 52' ' ' LEU . 8.4 pt-20 -53.15 -33.13 51.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.274 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.471 ' CD2' ' HG2' ' A' ' 51' ' ' GLU . 2.4 mm? -59.11 -44.9 92.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.652 ' HD2' HD22 ' A' ' 33' ' ' LEU . 11.7 mmt180 -55.22 -38.5 68.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.128 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.415 1.072 . . . . 0.0 110.324 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.443 ' HD2' ' CB ' ' A' ' 21' ' ' ALA . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 110.943 -0.445 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -172.58 -55.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.564 ' CD ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -64.39 -27.5 69.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.564 ' N ' ' CD ' ' A' ' 20' ' ' ARG . . . -57.96 -33.15 68.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.443 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -74.94 -36.5 62.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.135 . . . . 0.0 110.999 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.911 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -57.49 -47.75 81.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.25 -179.915 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 1.026 ' O ' HG22 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -53.33 -27.07 21.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 t -54.98 -18.9 5.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.985 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.426 ' OE2' HD21 ' A' ' 23' ' ' LEU . 22.4 pt-20 -57.89 -27.97 63.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 1.026 HG22 ' O ' ' A' ' 24' ' ' GLU . 34.7 m -73.43 -32.93 38.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.447 ' O ' ' HG3' ' A' ' 31' ' ' GLU . . . -64.68 -35.76 82.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.471 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 6.7 pt -83.14 -35.89 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.419 ' N ' HG13 ' A' ' 29' ' ' ILE . 10.7 t -67.8 -46.15 72.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.949 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.764 ' O ' HG22 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -58.76 -46.55 87.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.26 -179.908 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.457 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 12.6 pt-20 -70.57 -35.8 73.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.99 HD13 ' O ' ' A' ' 33' ' ' LEU . 1.8 tm? -46.46 -25.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.764 HG22 ' O ' ' A' ' 31' ' ' GLU . 11.0 m -57.38 -37.67 58.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -58.32 -25.58 62.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.367 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.833 ' HG3' HD22 ' A' ' 33' ' ' LEU . 9.5 mmtt -59.58 -30.02 68.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.238 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -41.41 -25.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.437 ' N ' ' C ' ' A' ' 36' ' ' LYS . 1.6 m -54.64 -36.51 64.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.098 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.916 ' O ' HD22 ' A' ' 42' ' ' LEU . 7.6 m-20 -48.4 -30.22 4.8 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.4 t -58.75 -13.89 7.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.531 ' C ' HD13 ' A' ' 42' ' ' LEU . . . -59.21 -37.25 77.01 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.433 1.083 . . . . 0.0 109.336 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.916 HD22 ' O ' ' A' ' 39' ' ' ASN . 0.0 OUTLIER -88.29 -39.7 14.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.31 32.97 15.14 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.635 ' C ' HG12 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -156.65 65.01 0.53 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.55 0.794 . . . . 0.0 109.631 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.808 HG13 ' HB3' ' A' ' 39' ' ' ASN . 0.2 OUTLIER 173.83 -44.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.234 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.402 ' O ' ' HG2' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -45.4 -33.81 2.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.3 t -54.92 -41.87 71.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 108.331 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.571 HG22 ' O ' ' A' ' 45' ' ' VAL . 1.2 t -72.52 -34.24 67.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 110.453 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.72 HG23 HD11 ' A' ' 33' ' ' LEU . 1.2 mp -57.64 -33.98 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 54' ' ' ARG . 3.2 mmtm -52.79 -35.74 57.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.39 -34.05 72.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.418 1.074 . . . . 0.0 110.256 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.545 ' CD1' HD21 ' A' ' 33' ' ' LEU . 28.9 mt -65.66 -57.05 9.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -72.62 -33.54 66.74 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.558 1.161 . . . . 0.0 110.292 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 110.269 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.881 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -173.23 -43.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 111.044 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.546 ' CD ' ' H ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -76.95 -31.61 56.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.38 -30.74 52.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.108 . . . . 0.0 109.254 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -66.77 -30.46 70.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 111.049 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.87 HD12 ' C ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -52.86 -40.77 63.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.692 ' N ' HD12 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -53.57 -26.93 23.64 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 62.2 m -54.09 -19.58 5.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.056 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.422 ' O ' HG12 ' A' ' 29' ' ' ILE . 14.7 pt-20 -58.67 -27.53 64.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 110.304 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.567 HG13 ' O ' ' A' ' 24' ' ' GLU . 1.9 m -74.32 -41.1 50.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.95 -36.58 72.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.447 HG13 ' N ' ' A' ' 30' ' ' SER . 3.2 pt -79.22 -34.21 16.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.511 ' O ' HG23 ' A' ' 34' ' ' VAL . 4.4 m -54.88 -33.3 61.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -69.28 -48.25 62.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.373 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 35' ' ' GLN . 1.8 mt-10 -71.21 -37.95 72.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.543 HD21 ' N ' ' A' ' 53' ' ' ARG . 15.5 tp -47.01 -28.02 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 30' ' ' SER . 2.8 t -72.24 -47.78 51.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -58.8 -21.92 57.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.738 ' CB ' HG21 ' A' ' 49' ' ' ILE . 8.1 mmtt -57.79 -30.38 65.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.479 ' HB3' ' O ' ' A' ' 34' ' ' VAL . 3.8 p90 -41.08 -26.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -54.61 -35.32 63.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.123 . . . . 0.0 109.937 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.479 ' CG ' HG21 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -47.33 -29.67 2.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 109.241 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.486 ' CA ' ' HB3' ' A' ' 46' ' ' ASN . 0.6 OUTLIER -56.4 -16.56 5.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.031 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.72 -35.92 79.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.108 . . . . 0.0 109.224 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.495 HD22 ' C ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -59.61 -48.74 80.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.231 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 125.09 -0.25 8.25 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.462 1.102 . . . . 0.0 111.016 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.711 ' C ' HG12 ' A' ' 45' ' ' VAL . 1.3 t-160 -177.18 108.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 109.58 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.711 HG12 ' C ' ' A' ' 44' ' ' HIS . 0.9 OUTLIER 161.76 -43.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.486 ' HB3' ' CA ' ' A' ' 40' ' ' SER . 2.5 p-10 -56.52 -39.33 73.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.35 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.478 ' HA ' ' CG ' ' A' ' 50' ' ' LYS . 0.5 OUTLIER -57.01 -32.63 66.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 108.252 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.713 HG22 HD13 ' A' ' 49' ' ' ILE . 0.9 OUTLIER -77.25 -34.38 55.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.417 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.738 HG21 ' CB ' ' A' ' 36' ' ' LYS . 6.0 mm -76.11 -48.35 28.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.359 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.478 ' CG ' ' HA ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -53.18 -31.33 42.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.898 ' HG3' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -60.56 -32.87 71.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.393 1.058 . . . . 0.0 110.266 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.898 HD22 ' HG3' ' A' ' 51' ' ' GLU . 2.7 mm? -68.15 -59.78 2.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.543 ' N ' HD21 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -65.58 -33.2 75.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.509 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.044 -0.406 . . . . 0.0 111.044 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -138.56 -55.28 0.62 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 0.0 110.948 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.58 ' CD ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -73.83 -27.95 61.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 110.291 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.58 ' N ' ' CD ' ' A' ' 20' ' ' ARG . . . -58.16 -32.92 68.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -73.43 -36.61 65.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.989 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -55.65 -46.19 77.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.596 1.185 . . . . 0.0 109.326 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.989 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -52.47 -26.98 14.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.611 ' O ' HG23 ' A' ' 29' ' ' ILE . 15.2 m -55.03 -19.87 8.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.982 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.528 ' HG2' HD22 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -58.56 -27.96 65.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.8 t -73.87 -33.84 38.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.55 -49.07 51.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.611 HG23 ' O ' ' A' ' 25' ' ' SER . 3.3 pt -58.98 -34.09 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.758 ' O ' HG23 ' A' ' 34' ' ' VAL . 41.3 t -60.69 -51.47 69.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.017 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 10.7 pt-20 -71.0 -38.84 72.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' GLN . 1.7 mt-10 -71.43 -50.89 27.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.878 HD13 ' O ' ' A' ' 33' ' ' LEU . 2.0 tm? -45.67 -25.89 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 30' ' ' SER . 11.4 t -63.39 -44.13 98.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.26 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 32' ' ' GLU . 1.2 pp0? -68.78 -25.99 64.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.426 ' C ' ' N ' ' A' ' 38' ' ' SER . 15.2 mttt -64.59 -30.77 71.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.55 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.7 OUTLIER -42.44 -25.58 0.08 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.446 1.091 . . . . 0.0 111.061 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.55 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -54.94 -38.44 67.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 110.012 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.922 ' O ' HD22 ' A' ' 42' ' ' LEU . 1.2 t-20 -59.72 -29.52 68.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 p -57.52 -15.16 6.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 109.961 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.74 -36.86 77.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.255 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.922 HD22 ' O ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -55.21 -83.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.68 21.74 3.74 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 28.4 m80 66.05 68.73 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 0.79 . . . . 0.0 109.599 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.04 -17.69 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -100.98 -32.6 10.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.2 m -55.49 -31.75 62.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 108.296 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.718 HG23 HD13 ' A' ' 49' ' ' ILE . 0.8 OUTLIER -60.72 -35.18 75.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.392 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.718 HD13 HG23 ' A' ' 48' ' ' THR . 7.2 mm -76.35 -34.66 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.464 ' HD2' ' CD1' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -53.52 -33.59 55.05 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.507 ' HG2' HD12 ' A' ' 52' ' ' LEU . 4.1 pt-20 -55.64 -35.35 65.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 110.349 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.507 HD12 ' HG2' ' A' ' 51' ' ' GLU . 2.8 mp -67.35 -51.48 51.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.5 ' HG3' HD12 ' A' ' 33' ' ' LEU . 10.0 mmm180 -67.03 -33.61 75.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.269 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.366 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.458 ' O ' ' C ' ' A' ' 2' ' ' ILE . 1.3 ptt85 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.539 HD13 ' H ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -36.42 -44.66 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.874 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.7 OUTLIER 68.63 -58.56 0.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.7 -45.04 95.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -96.9 53.75 1.4 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.433 1.083 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.874 HG13 ' O ' ' A' ' 3' ' ' TYR . 5.0 m -77.6 -169.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 109.351 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.944 ' O ' HD12 ' A' ' 10' ' ' ILE . 37.3 pt -74.6 -49.1 32.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.596 ' HG2' HG23 ' A' ' 6' ' ' VAL . 2.6 pt20 -57.03 -25.78 59.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.489 ' O ' ' CD ' ' A' ' 12' ' ' LYS . . . -49.02 -25.35 1.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.944 HD12 ' O ' ' A' ' 7' ' ' ILE . 1.7 mp -59.37 -28.54 39.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.088 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 14' ' ' ASP . 0.7 OUTLIER -48.16 -23.7 0.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 110.36 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.489 ' CD ' ' O ' ' A' ' 9' ' ' ALA . 1.5 ptmt -49.07 -31.92 8.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.247 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.0 p -62.3 -31.94 72.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.037 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 11' ' ' GLN . 2.0 t70 -73.83 -29.85 62.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -72.77 -5.89 41.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.232 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 43.53 68.76 0.77 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.533 1.146 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -42.1 154.14 0.27 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.489 0.758 . . . . 0.0 109.607 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -84.75 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.529 1.805 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 t80 179.7 -48.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.075 . . . . 0.0 110.967 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.437 ' HG2' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -64.48 -31.25 72.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.437 ' N ' ' HG2' ' A' ' 20' ' ' ARG . . . -58.16 -34.46 70.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -74.99 -36.15 62.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.017 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -57.35 -47.29 81.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.342 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 1.017 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -52.87 -26.99 16.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.406 1.066 . . . . 0.0 110.314 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.601 ' O ' HG23 ' A' ' 29' ' ' ILE . 3.1 t -54.91 -19.17 6.04 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.474 1.109 . . . . 0.0 109.956 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.405 ' O ' HG12 ' A' ' 29' ' ' ILE . 25.5 pt-20 -57.87 -27.98 63.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.03 -33.97 37.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.569 1.168 . . . . 0.0 109.35 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.48 -49.26 50.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.601 HG23 ' O ' ' A' ' 25' ' ' SER . 3.1 pt -58.42 -39.55 75.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.768 ' O ' HG23 ' A' ' 34' ' ' VAL . 68.2 m -54.68 -40.45 69.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.44 1.087 . . . . 0.0 109.98 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.479 ' OE1' ' CA ' ' A' ' 31' ' ' GLU . 2.0 tp10 -69.22 -41.85 76.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 2.0 tt0 -69.69 -44.0 71.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.246 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.908 HD23 ' HG2' ' A' ' 53' ' ' ARG . 2.6 tp -46.06 -49.34 16.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 30' ' ' SER . 3.4 t -62.44 -35.4 69.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 32' ' ' GLU . 12.2 mt-30 -70.91 -24.14 62.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 44.1 mmtt -58.81 -28.91 66.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.455 ' HB3' ' O ' ' A' ' 34' ' ' VAL . 3.4 p90 -40.33 -27.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' LYS . 0.3 OUTLIER -54.57 -38.68 66.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.984 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.787 ' O ' HD22 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -64.58 -30.78 71.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.358 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.475 ' CB ' ' HB2' ' A' ' 47' ' ' CYS . 0.9 OUTLIER -59.09 -13.04 5.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.17 -34.72 70.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.787 HD22 ' O ' ' A' ' 39' ' ' ASN . 0.1 OUTLIER -80.45 53.11 1.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.616 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . 87.37 -57.53 4.5 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.43 1.081 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.654 ' C ' HG22 ' A' ' 45' ' ' VAL . 0.5 OUTLIER 153.18 133.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 0.739 . . . . 0.0 109.556 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.654 HG22 ' C ' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -168.06 -60.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -71.39 -31.95 67.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.475 ' HB2' ' CB ' ' A' ' 40' ' ' SER . 12.2 t -55.32 -30.81 60.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.107 . . . . 0.0 108.273 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.483 HG22 HD13 ' A' ' 49' ' ' ILE . 0.7 OUTLIER -59.9 -34.58 73.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.483 HD13 HG22 ' A' ' 48' ' ' THR . 1.3 mp -73.4 -33.31 39.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -52.25 -31.82 34.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -52.63 -30.13 29.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.6 mt -57.22 -54.26 48.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.908 ' HG2' HD23 ' A' ' 33' ' ' LEU . 15.8 mmm180 -56.48 -38.62 71.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 110.326 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.501 ' C ' ' CD ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 1' ' ' ARG . 6.1 mt -40.2 -85.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.172 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 179.26 -35.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -69.26 -22.22 63.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 86.11 39.71 7.83 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.477 1.11 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.4 t -53.19 155.26 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.751 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.932 ' O ' HD12 ' A' ' 10' ' ' ILE . 41.4 pt -78.2 -48.6 22.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.572 1.17 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.464 ' N ' HG13 ' A' ' 7' ' ' ILE . 3.3 pt20 -59.13 -25.31 63.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.243 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.479 ' O ' ' CD ' ' A' ' 12' ' ' LYS . . . -50.5 -25.37 3.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.107 . . . . 0.0 109.336 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.932 HD12 ' O ' ' A' ' 7' ' ' ILE . 2.3 mp -63.15 -26.05 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -48.4 -23.59 0.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 110.215 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.479 ' CD ' ' O ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -49.09 -31.57 8.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.345 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.5 m -63.07 -30.31 71.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.981 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -73.93 -29.87 62.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.506 ' HB3' ' CE1' ' A' ' 17' ' ' HIS . 1.4 mm-40 -63.19 -51.56 65.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 110.357 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.39 -51.97 4.27 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.136 . . . . 0.0 110.968 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.506 ' CE1' ' HB3' ' A' ' 15' ' ' GLU . 75.2 m-70 62.34 153.65 0.11 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 0.765 . . . . 0.0 109.585 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -83.54 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.484 1.781 . . . . 0.0 110.962 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 t80 178.99 -49.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.439 ' HG2' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -62.61 -31.39 72.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.439 ' N ' ' HG2' ' A' ' 20' ' ' ARG . . . -58.22 -34.31 70.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -75.04 -35.98 61.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.415 1.072 . . . . 0.0 110.942 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.009 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -56.81 -47.51 80.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 1.009 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -52.92 -27.46 18.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.27 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 t -55.15 -19.0 6.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.521 ' HG2' HD22 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -57.99 -31.1 66.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 110.288 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.83 HG22 ' O ' ' A' ' 24' ' ' GLU . 11.5 m -73.84 -34.26 39.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.435 ' O ' ' HG2' ' A' ' 31' ' ' GLU . . . -63.2 -36.0 82.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.518 ' O ' ' CB ' ' A' ' 33' ' ' LEU . 5.2 pt -81.48 -34.58 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.491 ' O ' HG23 ' A' ' 34' ' ' VAL . 53.2 m -65.4 -46.49 79.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.987 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 28' ' ' ALA . 12.5 pt-20 -60.69 -49.44 77.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.546 1.154 . . . . 0.0 110.25 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 29' ' ' ILE . 8.6 pt-20 -71.25 -36.65 71.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.045 HD11 HG23 ' A' ' 49' ' ' ILE . 2.6 tp -53.1 -22.85 6.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 30' ' ' SER . 79.1 t -56.83 -37.1 52.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.414 1.071 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -61.67 -22.33 65.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 110.272 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.929 ' HG3' HD12 ' A' ' 33' ' ' LEU . 2.2 mmpt? -58.36 -30.61 66.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.485 ' HB3' ' O ' ' A' ' 34' ' ' VAL . 3.3 p90 -40.67 -27.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -55.21 -37.89 67.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.998 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.536 ' HB3' HG13 ' A' ' 45' ' ' VAL . 11.5 m-20 -63.55 -29.95 71.14 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.413 1.07 . . . . 0.0 109.23 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.411 ' N ' ' HB2' ' A' ' 46' ' ' ASN . 0.4 OUTLIER -57.36 -10.19 1.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.059 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.411 ' H ' ' C ' ' A' ' 39' ' ' ASN . . . -54.35 -33.96 60.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.834 HD13 ' HB2' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -96.07 -24.77 16.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.732 ' N ' HD12 ' A' ' 42' ' ' LEU . . . 71.39 54.81 8.32 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.834 ' HB2' HD13 ' A' ' 42' ' ' LEU . 76.9 m80 -138.41 -91.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 0.743 . . . . 0.0 109.561 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.536 HG13 ' HB3' ' A' ' 39' ' ' ASN . 3.5 p -50.63 -47.98 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.411 ' HB2' ' N ' ' A' ' 40' ' ' SER . 5.5 t30 -47.35 -32.75 5.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.524 ' O ' ' CD ' ' A' ' 50' ' ' LYS . 1.0 OUTLIER -55.95 -37.13 68.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 108.288 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 45' ' ' VAL . 1.0 OUTLIER -73.96 -33.32 63.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.399 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 1.045 HG23 HD11 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -56.45 -34.15 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.249 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.524 ' CD ' ' O ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -50.93 -34.18 27.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -70.18 -34.46 72.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.844 HD12 HD22 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -67.12 -57.86 5.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.42 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.472 ' HD2' HG22 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -71.46 -33.39 69.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.561 1.163 . . . . 0.0 110.209 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.549 ' O ' ' CD2' ' A' ' 3' ' ' TYR . 3.2 pt -71.53 -52.03 28.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.549 ' CD2' ' O ' ' A' ' 2' ' ' ILE . 0.3 OUTLIER 166.22 -29.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.074 . . . . 0.0 111.02 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -110.46 -22.18 11.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.52 74.57 2.34 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.7 HG22 ' H ' ' A' ' 7' ' ' ILE . 2.8 p -131.25 -152.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 0.794 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.858 ' O ' HD12 ' A' ' 10' ' ' ILE . 5.3 mt -46.33 -35.15 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.458 ' C ' ' N ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -52.78 -23.72 7.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.437 ' N ' ' HG3' ' A' ' 8' ' ' GLN . . . -41.44 -28.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.233 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.858 HD12 ' O ' ' A' ' 7' ' ' ILE . 0.9 OUTLIER -47.97 -23.2 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -44.64 -28.0 0.55 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.364 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -48.08 -32.06 6.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.359 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.426 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 19.1 m -65.54 -32.09 73.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.066 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 11' ' ' GLN . 0.3 OUTLIER -70.49 -29.4 65.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.162 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.402 ' O ' ' CD ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -75.16 -1.95 25.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.274 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.52 ' O ' ' CB ' ' A' ' 17' ' ' HIS . . . -51.55 -96.69 0.01 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.52 ' CB ' ' O ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER 160.69 -51.4 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 0.0 109.637 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 18.4 Cg_endo -74.95 164.92 32.46 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.385 1.729 . . . . 0.0 111.039 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.88 -34.3 3.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.566 ' CD ' ' H ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -75.5 -29.43 59.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.252 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.5 -32.64 51.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -60.9 -34.73 75.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.988 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -64.9 -47.54 77.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.988 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -52.81 -27.07 16.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.539 ' O ' HG23 ' A' ' 29' ' ' ILE . 10.4 m -54.99 -19.63 7.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.519 ' HG2' HD22 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -58.39 -42.85 88.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.213 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' ' 24' ' ' GLU . 1.7 p -74.13 -37.22 46.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.92 -38.35 82.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.352 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.539 HG23 ' O ' ' A' ' 25' ' ' SER . 24.8 pt -78.88 -33.27 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.964 ' O ' HG23 ' A' ' 34' ' ' VAL . 15.1 t -53.63 -45.45 70.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 110.014 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -70.32 -38.55 74.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -70.02 -51.19 34.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.078 . . . . 0.0 110.29 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.904 HD12 HG22 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -47.01 -34.78 5.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.382 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.964 HG23 ' O ' ' A' ' 30' ' ' SER . 45.3 t -65.64 -39.47 85.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' GLU . 6.2 mm100 -69.54 -23.97 63.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.516 ' HB3' ' ND2' ' A' ' 46' ' ' ASN . 8.6 mmtt -59.25 -31.28 68.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.421 ' HB3' ' O ' ' A' ' 34' ' ' VAL . 2.0 p90 -41.82 -26.82 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.416 ' N ' ' C ' ' A' ' 36' ' ' LYS . 68.5 p -58.27 -40.58 82.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 110.028 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.949 ' O ' HD22 ' A' ' 42' ' ' LEU . 4.4 m-20 -76.29 -31.24 58.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.233 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.2 p -60.09 -12.63 8.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 109.985 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -58.52 -44.36 89.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.343 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.949 HD22 ' O ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -39.57 -88.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.56 10.12 6.44 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.523 1.14 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.449 ' CE1' ' CB ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER 79.65 102.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 0.739 . . . . 0.0 109.615 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.481 ' O ' HG22 ' A' ' 48' ' ' THR . 0.0 OUTLIER -141.45 -46.81 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.168 . . . . 0.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.516 ' ND2' ' HB3' ' A' ' 36' ' ' LYS . 11.4 m120 -75.2 -32.74 61.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.132 . . . . 0.0 109.241 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.449 ' CB ' ' CE1' ' A' ' 44' ' ' HIS . 0.9 OUTLIER -55.49 -31.03 61.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 108.321 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.694 HG23 HD13 ' A' ' 49' ' ' ILE . 0.9 OUTLIER -60.45 -34.86 74.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.904 HG22 HD12 ' A' ' 33' ' ' LEU . 6.2 mm -75.82 -34.31 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 109.321 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.637 ' HA ' HD21 ' A' ' 33' ' ' LEU . 1.5 mtpm? -53.58 -31.62 47.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.663 ' HG2' HD22 ' A' ' 52' ' ' LEU . 7.6 pt-20 -53.6 -33.88 56.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.663 HD22 ' HG2' ' A' ' 51' ' ' GLU . 4.2 mm? -59.63 -49.51 77.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.378 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.786 ' HG3' HD22 ' A' ' 33' ' ' LEU . 16.1 mmm180 -70.5 -42.92 70.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.395 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.706 HD12 ' CG ' ' A' ' 4' ' ' LYS . 30.4 pt -66.49 -32.0 56.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.54 ' CB ' ' O ' ' A' ' 2' ' ' ILE . 0.1 OUTLIER 75.73 -51.46 0.63 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.706 ' CG ' HD12 ' A' ' 2' ' ' ILE . 0.3 OUTLIER -37.2 -58.28 0.82 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -171.42 64.17 0.15 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.453 1.096 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.517 HG22 HG12 ' A' ' 2' ' ' ILE . 2.5 t -48.6 168.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.491 0.759 . . . . 0.0 109.218 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.658 ' O ' HD12 ' A' ' 10' ' ' ILE . 44.0 pt -78.66 -47.74 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.478 ' OE1' HG11 ' A' ' 6' ' ' VAL . 2.6 pt20 -63.74 -26.02 68.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' A' ' 12' ' ' LYS . . . -42.27 -28.45 0.2 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.658 HD12 ' O ' ' A' ' 7' ' ' ILE . 0.7 OUTLIER -48.52 -23.16 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 14' ' ' ASP . 4.8 pt20 -45.19 -28.28 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.429 ' HD3' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -46.36 -31.98 2.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.429 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -59.17 -36.65 75.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.979 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 11' ' ' GLN . 25.6 t0 -61.28 -29.76 70.06 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.387 1.055 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -76.89 -6.85 54.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -168.11 88.89 0.1 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.441 1.088 . . . . 0.0 111.05 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -159.9 156.62 24.48 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.77 . . . . 0.0 109.639 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.412 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 18.5 Cg_endo -75.0 179.73 5.8 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.549 1.815 . . . . 0.0 111.03 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -119.34 -35.65 3.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.749 ' NH1' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -71.86 -32.19 67.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.339 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.412 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -58.56 -35.76 72.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.411 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.1 OUTLIER -70.88 -35.43 72.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 110.998 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.749 HD13 ' NH1' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -54.85 -47.42 74.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.729 ' O ' HG22 ' A' ' 27' ' ' VAL . 0.3 OUTLIER -52.91 -27.37 18.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.357 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.585 ' O ' HG23 ' A' ' 29' ' ' ILE . 1.6 t -55.46 -18.89 7.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.406 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 10.6 pt-20 -58.17 -46.2 86.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.729 HG22 ' O ' ' A' ' 24' ' ' GLU . 5.9 m -74.18 -34.69 38.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.46 -38.86 91.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.585 HG23 ' O ' ' A' ' 25' ' ' SER . 31.1 pt -78.22 -34.0 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 t -56.23 -33.72 65.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.004 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.782 ' O ' HG22 ' A' ' 34' ' ' VAL . 6.7 tp10 -69.23 -45.38 69.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.127 . . . . 0.0 110.268 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 35' ' ' GLN . 8.7 mt-10 -71.96 -36.09 69.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.664 ' CD2' HD22 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -47.26 -31.14 3.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.566 1.166 . . . . 0.0 109.397 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.782 HG22 ' O ' ' A' ' 31' ' ' GLU . 6.4 m -52.37 -37.41 23.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.421 ' HB2' ' O ' ' A' ' 32' ' ' GLU . 35.2 mt-30 -57.49 -25.96 60.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.412 1.07 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 38' ' ' SER . 14.4 mttt -61.69 -25.53 67.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -38.89 -27.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 36' ' ' LYS . 0.3 OUTLIER -53.71 -37.67 63.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.024 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.768 ' HB3' HG23 ' A' ' 45' ' ' VAL . 65.7 m-20 -52.62 -29.13 24.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.418 ' N ' ' HB2' ' A' ' 46' ' ' ASN . 3.0 t -56.92 -14.6 3.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.78 -35.55 72.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.912 HD12 ' HB2' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -96.38 -27.52 14.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.264 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.64 37.9 77.52 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.57 1.169 . . . . 0.0 110.935 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.912 ' HB2' HD12 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -119.88 -80.12 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.62 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.768 HG23 ' HB3' ' A' ' 39' ' ' ASN . 4.1 m -63.91 -37.47 79.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.418 ' HB2' ' N ' ' A' ' 40' ' ' SER . 10.5 t-20 -43.95 -33.65 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -55.72 -41.24 73.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 0.0 108.262 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -75.5 -34.13 60.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.45 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.562 HG23 ' CD1' ' A' ' 33' ' ' LEU . 0.9 OUTLIER -57.66 -41.59 79.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -51.62 -35.29 41.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.075 . . . . 0.0 109.239 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.435 ' N ' ' HG3' ' A' ' 50' ' ' LYS . 23.7 mt-10 -68.55 -40.14 80.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 110.193 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.664 HD22 ' CD2' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -67.89 -47.49 68.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.236 -179.884 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.597 ' CD ' HD12 ' A' ' 33' ' ' LEU . 33.0 mmm-85 -54.55 -45.72 73.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.443 1.089 . . . . 0.0 110.317 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.462 ' O ' ' C ' ' A' ' 2' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.545 HD12 ' H ' ' A' ' 5' ' ' GLY . 1.1 pt 36.09 -145.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.689 ' O ' HG12 ' A' ' 6' ' ' VAL . 0.4 OUTLIER 166.9 -35.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.0 -34.43 9.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.386 1.054 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.545 ' H ' HD12 ' A' ' 2' ' ' ILE . . . -88.45 33.21 4.19 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.557 1.161 . . . . 0.0 111.044 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.698 HG22 ' H ' ' A' ' 7' ' ' ILE . 1.9 p -114.29 -158.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.698 ' H ' HG22 ' A' ' 6' ' ' VAL . 27.2 pt -105.9 -46.95 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.465 ' C ' ' N ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -56.87 -24.44 51.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.23 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.477 ' O ' ' HG3' ' A' ' 12' ' ' LYS . . . -42.29 -26.5 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.416 1.073 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.465 ' N ' ' C ' ' A' ' 8' ' ' GLN . 27.4 pt -45.92 -23.01 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 14' ' ' ASP . 5.1 pt20 -44.22 -26.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.49 ' CD ' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -46.97 -30.27 2.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.572 1.17 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.49 ' N ' ' CD ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -59.59 -34.13 72.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.029 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -73.9 -29.63 62.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -73.06 -10.41 59.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.35 54.93 0.78 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.467 1.104 . . . . 0.0 111.031 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.47 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -64.37 -54.4 38.47 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.639 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.524 ' HG2' ' HB2' ' A' ' 21' ' ' ALA . 18.4 Cg_endo -75.02 150.73 38.49 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.511 1.795 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -65.47 -35.88 82.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 111.051 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.6 -31.73 72.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 110.238 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.524 ' HB2' ' HG2' ' A' ' 18' ' ' PRO . . . -58.16 -44.27 87.85 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.5 1.125 . . . . 0.0 109.216 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.42 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -62.62 -35.21 78.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 111.001 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.499 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -54.81 -47.73 73.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.48 ' N ' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -52.89 -27.22 17.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.593 ' O ' HG23 ' A' ' 29' ' ' ILE . 7.3 t -54.88 -19.83 7.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.117 . . . . 0.0 110.008 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -58.46 -27.99 64.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.0 t -73.8 -33.79 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.48 -48.82 53.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.593 HG23 ' O ' ' A' ' 25' ' ' SER . 3.0 pt -59.33 -39.67 79.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.455 ' O ' HG23 ' A' ' 34' ' ' VAL . 73.5 m -55.1 -43.55 74.14 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 110.019 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -69.32 -37.8 77.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 35' ' ' GLN . 71.0 mm-40 -70.73 -44.6 66.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.55 HD21 HG22 ' A' ' 49' ' ' ILE . 12.5 tp -47.19 -32.6 4.54 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' A' ' 37' ' ' TYR . 11.5 t -55.78 -35.96 41.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.5 ' CG ' ' O ' ' A' ' 32' ' ' GLU . 1.2 pp0? -62.03 -23.07 66.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.42 ' C ' ' N ' ' A' ' 38' ' ' SER . 30.7 mmtt -60.15 -32.29 70.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.474 ' HB3' ' O ' ' A' ' 34' ' ' VAL . 1.6 p90 -42.38 -25.58 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -54.69 -36.66 64.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 110.012 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.804 ' O ' HD22 ' A' ' 42' ' ' LEU . 2.4 m120 -49.16 -30.14 6.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.75 -15.88 9.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 110.02 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.9 -36.33 83.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.804 HD22 ' O ' ' A' ' 39' ' ' ASN . 0.1 OUTLIER -75.72 -73.16 0.27 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -168.73 32.32 0.18 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 72.47 113.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 0.793 . . . . 0.0 109.566 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 45' ' ' VAL . 5.9 p -165.61 30.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.469 ' HB2' ' CB ' ' A' ' 39' ' ' ASN . 0.5 OUTLIER 179.79 -33.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.495 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 2.1 t -54.85 -28.71 51.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 108.31 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . 1.025 HG23 HD13 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -70.92 -34.91 71.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.423 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 1.025 HD13 HG23 ' A' ' 48' ' ' THR . 0.9 OUTLIER -78.05 -48.14 23.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.514 ' HA ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -54.39 -34.61 61.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.414 ' OE1' ' HA ' ' A' ' 48' ' ' THR . 1.8 pt-20 -55.43 -32.35 62.65 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.526 1.142 . . . . 0.0 110.256 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.5 tp -58.88 -54.37 47.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.364 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.529 ' HG3' HD22 ' A' ' 33' ' ' LEU . 31.0 mmt180 -71.39 -33.62 69.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.344 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.434 ' HB2' HG22 ' A' ' 34' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.437 ' NH1' ' HB3' ' A' ' 1' ' ' ARG . 1.1 tmm_? . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.596 ' C ' HD12 ' A' ' 2' ' ' ILE . 2.4 pp -58.9 -178.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 109.309 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.416 ' N ' HD12 ' A' ' 2' ' ' ILE . 4.2 t80 -148.35 -44.4 0.15 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.471 1.107 . . . . 0.0 111.059 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -99.57 -24.8 14.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.807 ' O ' ' HB2' ' A' ' 9' ' ' ALA . . . 136.28 -42.23 1.34 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.58 1.175 . . . . 0.0 110.988 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.559 ' CG1' ' N ' ' A' ' 7' ' ' ILE . 1.7 t 71.39 167.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 0.0 109.251 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.768 ' O ' HD12 ' A' ' 10' ' ' ILE . 42.3 pt -80.38 -47.31 21.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.478 ' HG3' ' N ' ' A' ' 9' ' ' ALA . 0.6 OUTLIER -49.26 -25.0 2.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.807 ' HB2' ' O ' ' A' ' 5' ' ' GLY . . . -57.86 -27.9 63.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.08 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.768 HD12 ' O ' ' A' ' 7' ' ' ILE . 3.2 mp -69.77 -23.18 25.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.405 ' OE1' ' OE1' ' A' ' 8' ' ' GLN . 8.2 pt20 -47.34 -23.08 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.409 ' N ' ' C ' ' A' ' 10' ' ' ILE . 1.0 OUTLIER -47.15 -31.51 3.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.247 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.33 -34.58 72.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.028 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.461 ' O ' ' CD ' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -73.96 -29.87 62.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.701 ' CG ' ' HB1' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -76.17 -2.82 33.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.301 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.9 62.66 0.4 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.515 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -178.44 -59.41 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 109.581 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.547 ' HG2' ' HB2' ' A' ' 21' ' ' ALA . 18.2 Cg_endo -75.01 142.27 27.62 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -74.69 -35.45 62.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -31.68 72.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.107 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.701 ' HB1' ' CG ' ' A' ' 15' ' ' GLU . . . -58.1 -42.59 86.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.412 ' O ' ' CB ' ' A' ' 25' ' ' SER . 3.9 m-85 -64.44 -35.39 80.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.543 HD23 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -54.98 -47.54 74.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.437 1.086 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.753 ' O ' HG22 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -52.96 -27.2 17.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.36 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.549 ' O ' HG23 ' A' ' 29' ' ' ILE . 4.1 t -54.91 -19.73 7.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -58.47 -27.88 64.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.364 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.753 HG22 ' O ' ' A' ' 24' ' ' GLU . 6.3 m -74.02 -35.18 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.66 -34.53 78.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.549 HG23 ' O ' ' A' ' 25' ' ' SER . 1.9 pt -79.74 -35.63 16.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.909 ' O ' HG23 ' A' ' 34' ' ' VAL . 8.9 t -54.1 -52.41 61.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.405 1.065 . . . . 0.0 110.027 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -35.64 75.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.52 -50.37 69.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.684 HD11 ' CD1' ' A' ' 49' ' ' ILE . 1.7 tm? -52.1 -42.61 63.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 30' ' ' SER . 12.0 t -58.52 -38.13 68.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.449 1.093 . . . . 0.0 109.347 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -63.65 -26.25 68.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.353 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -65.01 -31.22 72.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -41.35 -27.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.2 t -55.38 -38.71 69.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.042 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.89 ' O ' HD22 ' A' ' 42' ' ' LEU . 5.8 t30 -69.43 -30.79 68.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.1 p -58.26 -15.63 10.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 110.024 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.52 -39.55 91.43 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.89 HD22 ' O ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -53.86 -83.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -129.71 22.47 4.89 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.443 1.089 . . . . 0.0 110.967 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.5 m80 65.63 44.73 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 0.794 . . . . 0.0 109.6 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.2 m -77.99 -19.61 13.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.349 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.477 HD22 HD11 ' A' ' 49' ' ' ILE . 0.6 OUTLIER -95.5 -32.24 12.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.365 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.61 -30.61 61.2 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 1.128 . . . . 0.0 108.307 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.519 ' CG2' ' N ' ' A' ' 49' ' ' ILE . 1.3 t -66.25 -52.28 49.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.423 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.964 HD12 ' N ' ' A' ' 50' ' ' LYS . 1.9 pp -71.74 -30.05 36.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 0.0 109.371 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.964 ' N ' HD12 ' A' ' 49' ' ' ILE . 1.4 mtpm? -49.51 -30.0 7.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.203 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -52.39 -30.49 29.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.71 -56.83 16.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.479 ' CZ ' ' HG ' ' A' ' 33' ' ' LEU . 86.6 mmt-85 -59.32 -41.77 89.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 110.263 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.23 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.633 ' C ' HD12 ' A' ' 2' ' ' ILE . 2.3 pp -53.93 163.91 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -152.28 20.86 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.66 10.41 7.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.253 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -64.19 -10.03 38.84 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.907 HG12 ' H ' ' A' ' 9' ' ' ALA . 38.2 t -85.18 136.73 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 0.742 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.621 ' O ' HD12 ' A' ' 10' ' ' ILE . 1.8 pt -81.35 -48.5 18.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.444 ' N ' ' CG1' ' A' ' 7' ' ' ILE . 1.9 mt-30 -56.57 -26.17 54.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.907 ' H ' HG12 ' A' ' 6' ' ' VAL . . . -41.93 -27.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.621 HD12 ' O ' ' A' ' 7' ' ' ILE . 2.6 mt -48.24 -23.15 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -46.78 -22.73 0.33 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.418 ' N ' ' C ' ' A' ' 10' ' ' ILE . 4.4 ptpt -45.58 -31.98 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 0.0 109.36 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 p -59.02 -36.02 74.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.986 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 11' ' ' GLN . 1.6 t0 -72.68 -29.83 63.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -64.76 -14.09 57.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.09 60.21 8.34 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -49.61 159.79 0.66 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.522 0.777 . . . . 0.0 109.592 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.689 ' HG2' ' HB2' ' A' ' 21' ' ' ALA . 18.0 Cg_endo -75.0 -179.31 4.87 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -85.75 -35.59 20.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.55 -31.79 68.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.689 ' HB2' ' HG2' ' A' ' 18' ' ' PRO . . . -58.51 -35.74 72.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.407 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.1 OUTLIER -74.26 -35.54 63.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.999 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -54.98 -47.6 74.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.999 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -52.79 -27.1 16.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.344 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . 1.019 ' O ' HG23 ' A' ' 29' ' ' ILE . 7.9 t -55.13 -19.5 7.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.075 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.5 ' HG2' HD22 ' A' ' 23' ' ' LEU . 2.1 pp20? -58.16 -43.51 87.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.28 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.46 HG12 ' O ' ' A' ' 24' ' ' GLU . 1.3 p -74.33 -35.09 38.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.569 1.168 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.87 -38.2 88.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.247 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 1.019 HG23 ' O ' ' A' ' 25' ' ' SER . 6.3 pt -78.76 -33.64 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . 1.02 ' O ' HG13 ' A' ' 34' ' ' VAL . 3.4 t -52.77 -52.95 54.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.396 1.06 . . . . 0.0 110.004 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.643 ' HA ' HG22 ' A' ' 34' ' ' VAL . 8.2 tt0 -60.83 -35.06 75.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.478 ' HA ' ' HG2' ' A' ' 35' ' ' GLN . 0.5 OUTLIER -73.53 -30.75 63.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.309 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.677 ' C ' HD13 ' A' ' 33' ' ' LEU . 2.1 tm? -83.43 -49.67 9.07 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.02 HG13 ' O ' ' A' ' 30' ' ' SER . 5.0 m -54.78 -41.78 58.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.478 ' HG2' ' HA ' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -57.8 -22.67 48.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 2.0 mtpt -64.55 -31.67 72.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.545 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.8 OUTLIER -42.05 -26.2 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.545 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 98.0 p -56.68 -36.56 69.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.023 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.523 ' HB3' HG11 ' A' ' 45' ' ' VAL . 2.0 m-20 -56.75 -28.64 61.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -57.01 -16.74 7.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.21 -35.2 77.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.41 1.069 . . . . 0.0 109.238 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.493 ' N ' HD12 ' A' ' 42' ' ' LEU . 4.7 mp -56.71 -85.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.54 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . -129.99 4.95 6.07 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.456 1.097 . . . . 0.0 111.066 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.54 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 1.5 t60 90.33 63.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 0.746 . . . . 0.0 109.567 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 48' ' ' THR . 12.5 p -86.55 -19.43 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 45' ' ' VAL . 3.0 t-20 -39.93 -30.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -51.67 -43.97 62.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 108.34 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.535 ' N ' ' O ' ' A' ' 45' ' ' VAL . 1.1 t -70.7 -34.66 72.19 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 0.0 110.352 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.629 HG22 ' HD2' ' A' ' 53' ' ' ARG . 1.3 mp -63.57 -32.41 56.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.446 ' HA ' ' CD ' ' A' ' 53' ' ' ARG . 22.9 mtpt -50.93 -34.39 28.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.865 ' HG2' HD22 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -64.96 -35.28 80.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.279 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.865 HD22 ' HG2' ' A' ' 51' ' ' GLU . 2.4 mm? -68.57 -58.48 4.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.629 ' HD2' HG22 ' A' ' 49' ' ' ILE . 1.1 ptm180 -65.49 -33.39 75.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.769 ' HB ' HG22 ' A' ' 6' ' ' VAL . 3.9 mp -92.61 -70.65 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.508 ' CB ' ' O ' ' A' ' 2' ' ' ILE . 5.0 t80 73.82 -51.23 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.51 ' HG2' HG22 ' A' ' 2' ' ' ILE . 0.0 OUTLIER -37.44 -32.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.947 ' O ' ' HB2' ' A' ' 9' ' ' ALA . . . 154.37 -32.22 0.71 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.141 . . . . 0.0 111.029 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.769 HG22 ' HB ' ' A' ' 2' ' ' ILE . 1.8 t 75.52 -139.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 0.743 . . . . 0.0 109.281 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.719 ' O ' HD12 ' A' ' 10' ' ' ILE . 1.3 pt -104.06 -48.58 9.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -56.84 -26.23 57.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.947 ' HB2' ' O ' ' A' ' 5' ' ' GLY . . . -44.17 -30.31 0.76 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.719 HD12 ' O ' ' A' ' 7' ' ' ILE . 0.9 OUTLIER -48.76 -23.21 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -44.96 -27.79 0.58 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.256 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.431 ' HD3' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -46.92 -31.79 3.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.431 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 4.0 p -63.85 -35.7 81.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.602 1.189 . . . . 0.0 110.035 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 11' ' ' GLN . 86.1 m-20 -74.5 -37.26 63.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.76 -5.07 59.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.329 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.458 ' O ' ' CB ' ' A' ' 17' ' ' HIS . . . -52.17 -90.49 0.01 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.484 1.115 . . . . 0.0 111.073 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.458 ' CB ' ' O ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER 165.63 -56.65 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.432 0.724 . . . . 0.0 109.607 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.447 ' HD3' ' CB ' ' A' ' 17' ' ' HIS . 18.4 Cg_endo -74.94 -162.69 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.555 1.818 . . . . 0.0 111.038 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -175.75 -37.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.448 ' CD ' ' H ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -75.06 -46.19 36.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.248 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.51 -34.29 66.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.408 ' O ' ' CB ' ' A' ' 25' ' ' SER . 7.2 m-85 -76.56 -34.73 58.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.624 HD23 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -55.19 -47.83 74.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.841 ' O ' HG22 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -53.25 -27.2 21.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 22' ' ' TYR . 2.4 t -54.88 -19.15 5.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.024 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 8.3 pt-20 -58.67 -45.24 89.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.231 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.841 HG22 ' O ' ' A' ' 24' ' ' GLU . 17.2 m -73.43 -34.18 42.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.07 -38.17 87.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.3 pt -78.42 -33.73 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.808 ' O ' HG13 ' A' ' 34' ' ' VAL . 11.4 m -54.13 -32.8 56.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.976 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.548 ' O ' HG22 ' A' ' 34' ' ' VAL . 14.1 tt0 -69.48 -49.16 57.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -72.4 -45.99 57.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.808 HD11 ' HB3' ' A' ' 53' ' ' ARG . 0.5 OUTLIER -47.41 -58.67 3.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.808 HG13 ' O ' ' A' ' 30' ' ' SER . 11.5 m -56.3 -37.67 51.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -62.6 -26.23 68.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.418 ' C ' ' N ' ' A' ' 38' ' ' SER . 7.8 mttt -60.9 -30.21 70.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -41.19 -27.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 110.998 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 36' ' ' LYS . 0.2 OUTLIER -55.6 -37.26 67.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.414 1.071 . . . . 0.0 109.987 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.76 ' HB3' HG13 ' A' ' 45' ' ' VAL . 16.3 m-20 -52.59 -30.7 32.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.492 ' N ' ' ND2' ' A' ' 46' ' ' ASN . 0.3 OUTLIER -59.12 -13.71 7.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.011 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.55 -36.89 74.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.694 HD12 ' HB2' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -97.94 -31.77 12.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.18 -0.76 89.56 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.552 1.158 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.694 ' HB2' HD12 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -107.82 60.99 0.61 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 0.774 . . . . 0.0 109.521 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.76 HG13 ' HB3' ' A' ' 39' ' ' ASN . 0.2 OUTLIER 170.44 -45.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.492 ' ND2' ' N ' ' A' ' 40' ' ' SER . 0.4 OUTLIER -45.53 -33.75 2.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.574 1.171 . . . . 0.0 109.32 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.543 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 1.2 m -57.1 -43.71 82.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 108.359 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 45' ' ' VAL . 0.9 OUTLIER -74.1 -34.24 63.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.392 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.667 HD12 HD12 ' A' ' 52' ' ' LEU . 2.9 mm -57.89 -32.89 44.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.382 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.543 ' CG ' ' O ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -50.69 -35.73 32.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.33 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -66.83 -36.96 83.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.3 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.667 HD12 HD12 ' A' ' 49' ' ' ILE . 49.4 mt -67.35 -56.81 8.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.808 ' HB3' HD11 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -66.85 -33.6 75.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 110.27 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 50' ' ' LYS . 34.2 ptt180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 pp -52.8 142.79 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -133.58 35.45 3.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 43.24 32.36 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -148.63 18.64 1.28 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.4 m -58.05 -164.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 0.753 . . . . 0.0 109.219 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.463 HG13 ' N ' ' A' ' 8' ' ' GLN . 37.2 pt -82.25 -48.77 17.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.08 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.463 ' N ' HG13 ' A' ' 7' ' ' ILE . 2.4 pt20 -57.05 -24.56 54.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.416 ' N ' ' HG3' ' A' ' 8' ' ' GLN . . . -41.47 -28.5 0.13 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.442 ' N ' ' C ' ' A' ' 8' ' ' GLN . 0.6 OUTLIER -47.88 -23.26 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.557 1.161 . . . . 0.0 109.261 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -46.98 -20.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.341 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.43 ' N ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -45.34 -31.82 1.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.89 -34.77 72.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.982 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 11' ' ' GLN . 17.4 m-20 -71.72 -29.61 64.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 16' ' ' GLY . 2.0 mt-10 -60.52 -49.91 75.64 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' GLU . . . 36.01 80.66 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.932 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.531 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -177.39 -60.03 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.456 0.739 . . . . 0.0 109.627 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.531 ' HD3' ' CB ' ' A' ' 17' ' ' HIS . 18.3 Cg_endo -74.99 135.98 19.81 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.432 ' O ' ' HB3' ' A' ' 22' ' ' TYR . 0.7 OUTLIER -84.05 -54.42 4.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.421 1.076 . . . . 0.0 111.022 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.533 ' CD ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -56.63 -27.49 58.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.533 ' N ' ' CD ' ' A' ' 20' ' ' ARG . . . -58.37 -34.54 70.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.432 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -76.28 -36.46 58.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 111.024 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.973 HD23 ' N ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -55.82 -47.3 77.42 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.478 1.111 . . . . 0.0 109.225 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.973 ' N ' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -52.39 -27.25 14.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.29 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.571 ' O ' HG23 ' A' ' 29' ' ' ILE . 4.6 t -55.1 -19.17 6.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 110.047 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 6.5 pt-20 -58.28 -41.92 85.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 24' ' ' GLU . 2.3 p -74.01 -36.89 46.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.42 -37.48 78.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.571 HG23 ' O ' ' A' ' 25' ' ' SER . 8.9 pt -79.23 -33.8 15.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.854 ' O ' HG13 ' A' ' 34' ' ' VAL . 3.7 p -54.16 -45.61 72.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.996 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.645 ' O ' HG22 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -64.86 -35.65 81.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 110.345 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -73.98 -52.01 14.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.045 HD11 HG22 ' A' ' 49' ' ' ILE . 0.4 OUTLIER -49.79 -52.22 33.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.854 HG13 ' O ' ' A' ' 30' ' ' SER . 16.5 m -55.1 -35.02 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -69.19 -24.57 64.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 1.0 OUTLIER -60.92 -31.92 71.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 38' ' ' SER . 1.4 p90 -41.91 -26.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.162 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.447 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 2.9 m -55.14 -37.54 67.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 0.0 110.008 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.767 ' O ' HD12 ' A' ' 42' ' ' LEU . 4.8 m-20 -71.41 -29.81 65.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.7 p -57.68 -11.53 2.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.971 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.47 -34.58 64.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.258 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.767 HD12 ' O ' ' A' ' 39' ' ' ASN . 1.0 OUTLIER -41.62 -78.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.47 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . -149.34 18.28 1.17 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.485 1.116 . . . . 0.0 111.027 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.548 ' CD2' ' HB3' ' A' ' 47' ' ' CYS . 2.1 t60 86.22 105.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 109.602 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.539 HG13 ' N ' ' A' ' 46' ' ' ASN . 12.4 p -153.0 -54.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.539 ' N ' HG13 ' A' ' 45' ' ' VAL . 1.7 m-80 -68.04 -33.13 74.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.273 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.548 ' HB3' ' CD2' ' A' ' 44' ' ' HIS . 27.1 t -56.28 -29.68 61.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 108.279 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.603 HG22 HD12 ' A' ' 49' ' ' ILE . 0.8 OUTLIER -75.92 -34.24 59.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 110.398 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 1.045 HG22 HD11 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -72.65 -38.88 59.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.238 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.727 ' HA ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -51.47 -32.85 28.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.472 ' N ' ' HG3' ' A' ' 50' ' ' LYS . 3.4 mt-10 -55.21 -32.81 62.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.0 -54.48 46.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.468 ' CG ' ' HG ' ' A' ' 33' ' ' LEU . 22.4 mmm180 -73.6 -40.59 63.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 110.25 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.272 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.689 HD12 ' N ' ' A' ' 3' ' ' TYR . 2.7 pp -50.88 -48.84 28.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 0.0 109.28 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.689 ' N ' HD12 ' A' ' 2' ' ' ILE . 2.0 t80 68.72 -60.55 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 2' ' ' ILE . 0.1 OUTLIER -91.84 69.25 5.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.584 ' HA3' HD13 ' A' ' 2' ' ' ILE . . . -160.91 -48.19 0.02 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.559 1.162 . . . . 0.0 110.941 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.738 HG22 ' N ' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -41.19 -90.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.548 0.793 . . . . 0.0 109.348 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.922 ' O ' HD12 ' A' ' 10' ' ' ILE . 67.3 mt 74.5 -34.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.568 ' H ' ' C ' ' A' ' 6' ' ' VAL . 1.6 pt20 -50.11 -22.35 1.63 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.432 ' N ' ' HG3' ' A' ' 8' ' ' GLN . . . -42.02 -31.33 0.34 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.436 1.085 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.922 HD12 ' O ' ' A' ' 7' ' ' ILE . 4.1 mt -48.65 -29.67 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.137 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -48.08 -23.83 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.309 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -49.3 -32.33 10.77 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.3 m -65.5 -32.52 74.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.983 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.48 ' O ' ' CG ' ' A' ' 18' ' ' PRO . 3.9 t70 -74.43 -36.98 63.44 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.442 1.088 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.53 -2.81 58.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -121.79 71.5 0.39 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.102 . . . . 0.0 111.043 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.483 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER 175.92 -57.64 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.473 0.749 . . . . 0.0 109.674 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.483 ' HD3' ' CB ' ' A' ' 17' ' ' HIS . 17.9 Cg_endo -75.11 135.75 19.28 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.588 1.836 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -91.95 -44.48 8.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.445 ' HG2' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -59.15 -32.09 69.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.342 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.445 ' N ' ' HG2' ' A' ' 20' ' ' ARG . . . -58.92 -34.67 71.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -75.88 -36.27 59.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.019 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -55.83 -47.48 77.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 1.019 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -52.86 -27.41 18.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.262 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 t -55.18 -18.94 6.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.051 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.52 ' HG2' HD22 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -57.82 -36.7 72.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.671 HG22 ' O ' ' A' ' 24' ' ' GLU . 3.5 m -73.93 -36.39 45.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.92 -37.76 77.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.589 HD12 HH21 ' A' ' 53' ' ' ARG . 41.5 pt -79.5 -33.75 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . 1.032 ' O ' HG23 ' A' ' 34' ' ' VAL . 17.8 m -54.1 -39.35 66.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -65.9 -48.43 71.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.08 -36.72 75.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.407 1.067 . . . . 0.0 110.37 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.037 ' O ' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -61.16 -41.77 97.37 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.032 HG23 ' O ' ' A' ' 30' ' ' SER . 82.1 t -56.49 -37.9 53.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -65.61 -26.15 67.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.246 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.85 ' HE3' HD23 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -60.18 -30.7 69.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -41.38 -25.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 111.013 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 36' ' ' LYS . 0.3 OUTLIER -54.92 -36.81 65.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.943 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.768 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.6 t-20 -67.32 -31.19 71.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.419 ' N ' ' HB2' ' A' ' 46' ' ' ASN . 1.4 t -58.14 -11.86 2.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.432 ' C ' ' N ' ' A' ' 43' ' ' GLY . . . -56.64 -32.77 65.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.768 HD12 ' O ' ' A' ' 39' ' ' ASN . 1.1 mt -42.7 -28.21 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.176 . . . . 0.0 109.243 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.586 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . 147.06 -28.36 1.55 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.557 1.161 . . . . 0.0 111.004 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.586 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER 155.69 118.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 109.576 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.539 HG13 ' N ' ' A' ' 46' ' ' ASN . 7.6 p -177.64 -55.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.418 1.073 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.539 ' N ' HG13 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -75.24 -33.95 61.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.529 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 17.7 t -57.49 -29.94 64.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.259 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.61 HG22 ' CD1' ' A' ' 49' ' ' ILE . 0.8 OUTLIER -75.58 -34.33 60.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.582 1.176 . . . . 0.0 110.395 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.61 ' CD1' HG22 ' A' ' 48' ' ' THR . 0.7 OUTLIER -75.86 -48.63 28.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.781 ' HA ' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -54.96 -31.65 60.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 47' ' ' CYS . 1.6 mm-40 -54.2 -32.42 55.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.1 tp -57.33 -53.68 55.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.669 ' CG ' HD12 ' A' ' 33' ' ' LEU . 10.3 mmt-85 -73.91 -34.7 64.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.426 ' C ' ' N ' ' A' ' 3' ' ' TYR . 8.1 ptt180 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.507 ' O ' ' CB ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -40.03 -31.63 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.686 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.9 OUTLIER 73.66 -54.88 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.968 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.41 -22.85 54.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -98.9 17.07 58.73 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.495 1.122 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.686 HG13 ' O ' ' A' ' 3' ' ' TYR . 33.7 m -65.07 -54.99 22.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.475 0.75 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.7 ' O ' HD12 ' A' ' 10' ' ' ILE . 7.1 mt 73.22 -50.14 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.452 ' C ' ' N ' ' A' ' 10' ' ' ILE . 1.9 pt20 -54.34 -22.26 11.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.437 ' HB2' HG21 ' A' ' 6' ' ' VAL . . . -41.24 -28.58 0.11 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.606 1.191 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.7 HD12 ' O ' ' A' ' 7' ' ' ILE . 5.9 mt -48.26 -24.53 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 14' ' ' ASP . 7.7 pt20 -49.18 -24.58 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.383 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.1 -31.52 3.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.2 m -59.43 -36.61 76.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 11' ' ' GLN . 0.9 OUTLIER -49.1 -25.93 2.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 16' ' ' GLY . 44.8 mm-40 -71.25 -1.12 11.62 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.563 1.165 . . . . 0.0 110.246 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.582 ' O ' ' CG ' ' A' ' 17' ' ' HIS . . . -44.82 -97.24 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.582 ' CG ' ' O ' ' A' ' 16' ' ' GLY . 1.4 m170 156.34 -48.24 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 109.622 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 18.4 Cg_endo -74.95 -98.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.488 1.783 . . . . 0.0 110.948 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -73.52 -35.24 65.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.544 ' CD ' ' H ' ' A' ' 20' ' ' ARG . 1.4 mpt_? -59.36 -42.14 90.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.313 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 17' ' ' HIS . . . -57.49 -40.91 79.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.462 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -77.25 -35.33 55.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 111.025 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.749 HD23 ' N ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -53.86 -45.01 70.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.123 . . . . 0.0 109.38 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 1.014 ' O ' HG22 ' A' ' 27' ' ' VAL . 0.3 OUTLIER -52.1 -27.61 14.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.358 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.2 t -55.27 -19.11 7.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.966 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 1.5 pp20? -57.99 -27.49 63.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 1.014 HG22 ' O ' ' A' ' 24' ' ' GLU . 34.4 m -67.04 -34.93 73.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.62 -40.81 84.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 30' ' ' SER . 11.8 pt -79.42 -33.44 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . 1.01 ' O ' HG23 ' A' ' 34' ' ' VAL . 22.3 t -53.51 -44.53 69.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.972 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 9.3 pt-20 -69.56 -40.53 76.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.256 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 35' ' ' GLN . 2.6 mm-40 -70.19 -50.81 36.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.598 1.186 . . . . 0.0 110.345 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.062 ' O ' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -47.37 -33.85 6.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.396 1.06 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.01 HG23 ' O ' ' A' ' 30' ' ' SER . 81.0 t -58.82 -38.36 72.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' GLU . 15.5 mt-30 -66.36 -23.46 66.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.432 ' C ' ' N ' ' A' ' 38' ' ' SER . 3.8 mmtp -66.84 -31.01 71.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.553 ' CD1' ' O ' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -42.29 -24.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 111.027 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.549 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -54.68 -38.59 67.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 110.019 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.928 ' O ' HD22 ' A' ' 42' ' ' LEU . 2.0 m-20 -54.7 -31.49 58.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.243 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.467 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 0.9 OUTLIER -60.18 -12.8 9.52 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.473 1.108 . . . . 0.0 109.977 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.8 -45.33 90.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.928 HD22 ' O ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -42.59 -86.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.605 ' O ' ' CD2' ' A' ' 44' ' ' HIS . . . -129.8 8.58 6.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.605 ' CD2' ' O ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER 85.54 115.3 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.423 0.719 . . . . 0.0 109.613 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.609 HG13 ' H ' ' A' ' 46' ' ' ASN . 2.8 p -163.35 -59.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.08 . . . . 0.0 109.236 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.609 ' H ' HG13 ' A' ' 45' ' ' VAL . 1.5 m-80 -58.87 -33.05 70.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.483 ' HA ' ' CG ' ' A' ' 50' ' ' LYS . 28.9 p -56.07 -32.27 63.95 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 108.3 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.641 HG22 HD12 ' A' ' 49' ' ' ILE . 0.7 OUTLIER -76.04 -34.8 59.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.359 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.641 HD12 HG22 ' A' ' 48' ' ' THR . 1.2 mp -76.0 -48.13 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.78 ' HA ' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -55.62 -32.74 63.38 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.415 ' N ' ' HD2' ' A' ' 50' ' ' LYS . 3.4 pt-20 -54.13 -31.21 51.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.335 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 49.8 mt -57.74 -54.16 50.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.635 ' HB2' HD12 ' A' ' 33' ' ' LEU . 10.7 mmt-85 -73.54 -40.67 63.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.32 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 110.32 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.409 ' NH1' ' HB2' ' A' ' 28' ' ' ALA . 16.0 tpp85 . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.833 HD12 ' N ' ' A' ' 3' ' ' TYR . 2.5 pp -66.57 -158.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.833 ' N ' HD12 ' A' ' 2' ' ' ILE . 0.0 OUTLIER 173.87 -32.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.422 ' CD ' HG22 ' A' ' 6' ' ' VAL . 1.0 OUTLIER -52.37 -23.18 5.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.209 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 6' ' ' VAL . . . 119.34 -47.25 1.04 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.739 HG12 ' H ' ' A' ' 7' ' ' ILE . 1.6 t 44.28 -169.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.549 0.793 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.943 ' O ' HD12 ' A' ' 10' ' ' ILE . 0.9 OUTLIER -124.34 -47.5 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.423 ' C ' ' N ' ' A' ' 10' ' ' ILE . 0.5 OUTLIER -65.92 -26.44 67.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.493 ' O ' ' CD ' ' A' ' 12' ' ' LYS . . . -42.0 -28.53 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.943 HD12 ' O ' ' A' ' 7' ' ' ILE . 8.2 mt -48.56 -24.3 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 14' ' ' ASP . 11.4 pt20 -49.16 -25.95 2.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.493 ' CD ' ' O ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -47.87 -31.92 5.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.1 m -60.59 -34.82 74.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.056 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 11' ' ' GLN . 29.5 m-20 -60.31 -29.3 68.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.567 1.167 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' GLY . 5.7 mm-40 -70.93 -25.95 62.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' GLU . . . 37.67 58.8 1.4 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.637 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -42.72 104.89 0.39 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.759 . . . . 0.0 109.574 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.52 ' HG2' ' CD ' ' A' ' 20' ' ' ARG . 18.4 Cg_endo -74.95 -47.92 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.489 1.784 . . . . 0.0 111.008 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -170.68 -50.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.52 ' CD ' ' HG2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -65.41 -31.04 71.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.358 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.637 ' HB3' ' CB ' ' A' ' 17' ' ' HIS . . . -58.07 -34.19 69.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.355 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.401 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.3 OUTLIER -75.54 -35.79 60.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.97 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.997 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -55.58 -47.08 77.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.33 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.997 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -52.77 -27.06 16.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.25 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.503 ' O ' HG23 ' A' ' 29' ' ' ILE . 5.2 m -54.91 -19.47 6.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.488 ' OE2' HG22 ' A' ' 27' ' ' VAL . 1.9 pp20? -58.06 -27.52 63.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.488 HG22 ' OE2' ' A' ' 26' ' ' GLU . 21.9 t -73.69 -32.91 36.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.425 ' O ' ' CG ' ' A' ' 31' ' ' GLU . . . -70.09 -42.92 72.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.503 HG23 ' O ' ' A' ' 25' ' ' SER . 2.8 pt -68.34 -38.54 79.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.58 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -56.52 -49.59 74.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.026 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 28' ' ' ALA . 9.8 pt-20 -66.57 -35.25 79.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 1.6 mt-10 -71.67 -48.61 46.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 1.039 HD22 HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -44.58 -34.99 2.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 30' ' ' SER . 3.3 t -56.85 -45.31 83.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 3.0 pt20 -69.0 -26.64 65.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.469 ' CG ' ' HA ' ' A' ' 33' ' ' LEU . 1.5 mmmm -60.14 -30.09 69.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.573 ' CD1' ' HD3' ' A' ' 50' ' ' LYS . 3.2 t80 -42.48 -25.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 111.064 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -60.37 -37.44 80.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.942 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.8 ' O ' HD12 ' A' ' 42' ' ' LEU . 2.0 m-20 -55.09 -30.9 60.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.466 ' N ' ' HB2' ' A' ' 46' ' ' ASN . 0.4 OUTLIER -57.96 -11.86 2.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.955 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.45 -33.89 66.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.8 HD12 ' O ' ' A' ' 39' ' ' ASN . 0.9 OUTLIER -44.86 -79.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . -145.58 15.95 1.82 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.461 1.101 . . . . 0.0 111.038 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.501 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 1.9 t60 88.92 48.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.764 . . . . 0.0 109.612 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.525 HG23 ' N ' ' A' ' 46' ' ' ASN . 17.5 m -88.95 -53.04 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.705 ' OD1' HD11 ' A' ' 49' ' ' ILE . 0.4 OUTLIER -44.36 -27.08 0.39 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.59 1.181 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.426 ' N ' ' C ' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -49.45 -30.54 8.25 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.442 1.089 . . . . 0.0 108.233 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.488 HG23 HG23 ' A' ' 49' ' ' ILE . 9.4 t -67.28 -51.74 49.14 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.537 1.148 . . . . 0.0 110.412 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.928 HD12 ' N ' ' A' ' 50' ' ' LYS . 1.8 pp -75.68 -26.65 18.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.348 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.928 ' N ' HD12 ' A' ' 49' ' ' ILE . 6.0 mmmt -46.24 -30.58 2.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.419 1.074 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.43 -30.07 27.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.358 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 1.039 HD23 HD22 ' A' ' 33' ' ' LEU . 5.5 tp -57.99 -50.1 74.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.618 ' HG3' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -53.7 -45.68 70.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 110.257 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.471 ' N ' ' HE ' ' A' ' 20' ' ' ARG . 2.5 ppt_? . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.669 HG21 ' HE2' ' A' ' 4' ' ' LYS . 4.5 mp -94.54 -80.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.405 ' CD2' ' O ' ' A' ' 2' ' ' ILE . 0.2 OUTLIER 172.4 38.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 111.007 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.669 ' HE2' HG21 ' A' ' 2' ' ' ILE . 0.0 OUTLIER -145.57 18.83 1.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 48.34 49.01 26.61 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.574 1.171 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.431 HG12 ' N ' ' A' ' 7' ' ' ILE . 51.4 t -56.73 162.23 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.783 . . . . 0.0 109.263 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.854 ' O ' HD12 ' A' ' 10' ' ' ILE . 41.8 pt -78.31 -48.39 22.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.456 ' N ' HG13 ' A' ' 7' ' ' ILE . 1.5 pt20 -58.95 -25.32 63.41 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.484 ' O ' ' CD ' ' A' ' 12' ' ' LYS . . . -48.8 -24.15 1.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.854 HD12 ' O ' ' A' ' 7' ' ' ILE . 1.3 mp -60.17 -27.36 39.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.354 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 14' ' ' ASP . 1.0 OUTLIER -47.85 -23.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.286 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.484 ' CD ' ' O ' ' A' ' 9' ' ' ALA . 0.6 OUTLIER -49.51 -32.01 11.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.2 p -65.28 -31.34 72.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 110.081 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 11' ' ' GLN . 4.3 t0 -67.1 -29.62 69.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.084 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -73.42 -38.2 65.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.536 ' O ' ' CG ' ' A' ' 17' ' ' HIS . . . 121.33 -71.2 0.39 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.558 1.161 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 16' ' ' GLY . 47.1 m80 -162.46 74.46 2.15 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.523 0.778 . . . . 0.0 109.569 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.701 ' HD2' ' HB2' ' A' ' 21' ' ' ALA . 18.3 Cg_endo -74.96 -174.81 2.06 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.493 1.786 . . . . 0.0 111.093 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -52.44 -32.2 38.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.584 1.178 . . . . 0.0 111.036 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.526 ' CD ' ' H ' ' A' ' 20' ' ' ARG . 2.5 mpt_? -71.16 -45.21 63.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.402 1.064 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.701 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . . . -57.13 -40.43 77.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.416 ' O ' ' CB ' ' A' ' 25' ' ' SER . 5.9 m-85 -77.79 -35.42 51.53 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.569 1.168 . . . . 0.0 111.019 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.935 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -54.54 -47.66 72.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.255 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 1.033 ' O ' HG22 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -52.62 -27.39 16.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.273 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 22' ' ' TYR . 6.0 t -55.24 -18.53 6.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -56.81 -27.7 60.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 1.033 HG22 ' O ' ' A' ' 24' ' ' GLU . 26.8 m -73.31 -33.87 42.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.53 -39.08 93.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.891 ' O ' HD22 ' A' ' 33' ' ' LEU . 6.9 pt -79.18 -36.22 18.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.698 ' O ' HG23 ' A' ' 34' ' ' VAL . 22.9 t -48.85 -41.51 33.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 110.016 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -72.69 -35.94 67.76 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' GLN . 1.0 OUTLIER -72.08 -51.06 23.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.373 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.891 HD22 ' O ' ' A' ' 29' ' ' ILE . 0.5 OUTLIER -44.93 -32.44 1.62 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 30' ' ' SER . 2.3 t -61.49 -44.11 98.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' GLU . 1.8 pt20 -66.34 -26.67 67.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.331 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.437 ' C ' ' N ' ' A' ' 38' ' ' SER . 18.2 mmtt -60.68 -29.82 69.54 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -41.72 -25.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.409 1.068 . . . . 0.0 110.998 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.437 ' N ' ' C ' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -54.17 -37.06 64.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.025 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -62.59 -30.01 71.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.476 ' HB3' ' CB ' ' A' ' 47' ' ' CYS . 0.7 OUTLIER -58.02 -15.81 10.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.966 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.464 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -59.32 -43.38 92.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.88 HD23 ' N ' ' A' ' 43' ' ' GLY . 1.0 OUTLIER -35.77 -65.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.88 ' N ' HD23 ' A' ' 42' ' ' LEU . . . -166.1 27.74 0.18 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.556 1.16 . . . . 0.0 111.058 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 40' ' ' SER . 0.0 OUTLIER 70.79 72.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 0.737 . . . . 0.0 109.557 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.52 ' O ' HG22 ' A' ' 48' ' ' THR . 0.0 OUTLIER -123.46 -42.12 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -80.03 -33.43 39.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.476 ' CB ' ' HB3' ' A' ' 40' ' ' SER . 4.9 t -55.8 -31.67 62.85 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.527 1.142 . . . . 0.0 108.275 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.53 HG23 HD12 ' A' ' 49' ' ' ILE . 1.1 t -60.4 -36.52 78.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 110.438 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.587 HG22 ' HE3' ' A' ' 50' ' ' LYS . 1.3 mp -76.35 -32.56 22.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.587 ' HE3' HG22 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -52.16 -33.15 39.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.071 . . . . 0.0 109.272 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.47 -33.37 59.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 0.0 110.258 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.9 mt -65.73 -45.56 82.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.485 ' HA ' ' CZ ' ' A' ' 53' ' ' ARG . 1.7 mmp_? -75.54 -36.25 60.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.203 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 2' ' ' ILE . 2.6 ptt180 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.654 ' N ' HD13 ' A' ' 2' ' ' ILE . 0.2 OUTLIER -37.64 -42.95 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.472 ' CB ' ' O ' ' A' ' 2' ' ' ILE . 2.8 t80 71.45 -56.24 0.64 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.072 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -15.19 55.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.05 -26.63 12.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.461 ' CG2' ' HA ' ' A' ' 3' ' ' TYR . 18.8 m -101.81 18.37 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.76 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.728 HG23 HD11 ' A' ' 10' ' ' ILE . 82.2 mt -39.74 -31.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.44 1.087 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.6 ' O ' ' N ' ' A' ' 11' ' ' GLN . 1.4 pt20 -52.37 -19.83 2.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.565 ' O ' ' CG ' ' A' ' 12' ' ' LYS . . . -45.45 -26.63 0.59 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.728 HD11 HG23 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -94.92 -24.75 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.6 ' N ' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -44.04 -20.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.596 ' CD ' ' H ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -41.44 -34.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.8 p -65.22 -48.91 71.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.959 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 11' ' ' GLN . 20.7 t0 -53.85 -29.87 43.08 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.404 1.065 . . . . 0.0 109.324 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -74.85 -19.32 60.22 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.441 1.088 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.2 47.47 55.35 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.559 1.162 . . . . 0.0 111.062 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -48.82 105.75 0.54 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.544 0.79 . . . . 0.0 109.65 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -82.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.569 1.826 . . . . 0.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -150.89 -44.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.22 -31.74 73.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.43 -44.65 89.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -62.36 -35.55 79.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.922 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.008 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -55.0 -47.48 74.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 1.008 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -52.77 -27.53 18.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 22' ' ' TYR . 7.3 t -55.2 -18.97 6.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.591 ' CD ' HG13 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -58.15 -38.81 77.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.99 HG22 ' O ' ' A' ' 24' ' ' GLU . 35.5 m -73.68 -32.76 36.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.442 ' O ' ' CG ' ' A' ' 31' ' ' GLU . . . -62.65 -37.57 86.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.621 1.201 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.431 HG13 ' N ' ' A' ' 30' ' ' SER . 9.4 pt -79.04 -33.99 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.783 ' O ' HG23 ' A' ' 34' ' ' VAL . 47.0 t -54.45 -44.94 72.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.442 ' CG ' ' O ' ' A' ' 28' ' ' ALA . 7.3 pt-20 -67.32 -39.5 85.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.437 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 37.8 mt-10 -70.33 -36.89 74.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.553 HD11 HG22 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -61.93 -34.99 77.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.376 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 30' ' ' SER . 57.9 t -71.26 -36.91 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -67.32 -25.92 66.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.435 ' HG3' ' ND2' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -63.58 -30.86 71.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.587 1.179 . . . . 0.0 109.266 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 34' ' ' VAL . 0.5 OUTLIER -45.18 -21.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.532 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 2.8 m -53.8 -38.55 64.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.997 ' O ' HD22 ' A' ' 42' ' ' LEU . 2.4 t-20 -59.7 -29.62 68.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.497 ' CB ' ' HB2' ' A' ' 47' ' ' CYS . 1.1 p -58.17 -12.09 3.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.033 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.8 -39.36 73.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.997 HD22 ' O ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -46.35 -86.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 109.233 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . -126.95 3.83 7.4 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 4.1 t60 87.36 103.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 109.602 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.437 ' O ' ' HB ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -151.04 -61.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.453 1.096 . . . . 0.0 109.35 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.486 ' ND2' ' CB ' ' A' ' 39' ' ' ASN . 7.0 m-20 -54.99 -32.71 61.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.363 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 49.7 t -56.42 -31.99 64.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 108.323 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.656 HG22 HD12 ' A' ' 49' ' ' ILE . 0.6 OUTLIER -75.62 -32.72 60.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.354 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.656 HD12 HG22 ' A' ' 48' ' ' THR . 0.7 OUTLIER -68.23 -40.8 83.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.355 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -51.71 -31.14 25.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' ' 50' ' ' LYS . 9.3 mt-10 -53.64 -34.09 57.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 5.1 mp -60.59 -53.01 62.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.478 ' HG3' ' CB ' ' A' ' 33' ' ' LEU . 9.6 mmm180 -73.47 -34.26 65.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.411 1.069 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.176 . . . . 0.0 110.291 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.427 HD12 ' H ' ' A' ' 3' ' ' TYR . 0.5 OUTLIER -45.01 -89.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.427 ' H ' HD12 ' A' ' 2' ' ' ILE . 32.6 t80 58.08 14.65 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.407 ' HE2' HG22 ' A' ' 2' ' ' ILE . 0.0 OUTLIER -97.3 5.08 50.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.363 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.474 ' O ' ' C ' ' A' ' 6' ' ' VAL . . . 82.74 56.29 2.8 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.628 HG22 ' H ' ' A' ' 9' ' ' ALA . 0.2 OUTLIER -33.88 141.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 0.735 . . . . 0.0 109.267 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.894 ' O ' HD12 ' A' ' 10' ' ' ILE . 28.3 pt -87.61 -43.85 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 11' ' ' GLN . 2.4 pt20 -51.32 -21.51 2.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 110.258 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.628 ' H ' HG22 ' A' ' 6' ' ' VAL . . . -53.27 -23.67 9.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.894 HD12 ' O ' ' A' ' 7' ' ' ILE . 2.8 mp -77.51 -23.19 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 8' ' ' GLN . 8.0 pt20 -47.7 -23.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 110.358 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.495 ' CD ' ' O ' ' A' ' 9' ' ' ALA . 0.2 OUTLIER -47.02 -31.78 3.5 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.108 . . . . 0.0 109.286 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.54 -34.28 72.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 110.035 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 11' ' ' GLN . 11.2 t0 -70.71 -29.98 66.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -74.42 -22.76 58.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 110.326 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 60.55 38.16 94.49 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.502 1.127 . . . . 0.0 110.955 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 21.6 m80 44.88 78.64 0.38 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.747 . . . . 0.0 109.608 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.784 ' HG2' ' HB2' ' A' ' 21' ' ' ALA . 18.4 Cg_endo -74.94 -161.62 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.438 1.757 . . . . 0.0 111.01 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -103.81 -35.23 8.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.54 ' CD ' ' H ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -75.29 -30.09 60.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.784 ' HB2' ' HG2' ' A' ' 18' ' ' PRO . . . -54.22 -33.62 58.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -75.5 -34.28 60.83 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.434 1.084 . . . . 0.0 110.987 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.019 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -58.19 -47.38 83.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 1.019 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -52.84 -27.14 16.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 110.272 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.697 ' O ' HG23 ' A' ' 29' ' ' ILE . 5.3 t -54.98 -19.46 6.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.964 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.544 ' HG2' HD22 ' A' ' 23' ' ' LEU . 2.0 pp20? -58.3 -43.96 88.35 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.151 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 24' ' ' GLU . 1.4 p -74.01 -38.72 49.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.341 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.464 ' O ' ' CG ' ' A' ' 31' ' ' GLU . . . -58.3 -38.35 76.89 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.697 HG23 ' O ' ' A' ' 25' ' ' SER . 10.9 pt -78.49 -34.4 18.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.347 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.797 ' O ' HG13 ' A' ' 34' ' ' VAL . 1.1 t -55.19 -44.78 75.63 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.597 1.185 . . . . 0.0 109.979 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.525 ' O ' HG22 ' A' ' 34' ' ' VAL . 7.5 pt-20 -66.91 -39.15 87.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.431 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -70.92 -36.88 72.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.71 HD21 ' HB3' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -64.1 -54.76 28.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.797 HG13 ' O ' ' A' ' 30' ' ' SER . 5.7 m -56.92 -37.51 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -70.7 -26.3 63.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.349 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 38' ' ' SER . 1.2 ptmt -71.91 -28.71 63.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.621 ' CD1' ' O ' ' A' ' 34' ' ' VAL . 0.6 OUTLIER -40.86 -25.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.563 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -53.65 -34.99 60.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 110.024 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.859 ' HB3' HG11 ' A' ' 45' ' ' VAL . 91.5 m-20 -48.16 -30.34 4.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.412 ' HB2' ' ND2' ' A' ' 46' ' ' ASN . 8.4 t -56.98 -18.45 13.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.024 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -60.94 -43.66 98.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.827 ' C ' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -38.02 -31.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.46 ' O ' ' CG ' ' A' ' 44' ' ' HIS . . . 137.74 -9.57 3.68 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' A' ' 43' ' ' GLY . 0.3 OUTLIER 167.32 105.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 109.623 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.859 HG11 ' HB3' ' A' ' 39' ' ' ASN . 21.2 t -152.09 -49.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.365 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.412 ' ND2' ' HB2' ' A' ' 40' ' ' SER . 1.9 m-20 -42.44 -32.37 0.53 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.522 ' O ' ' CD ' ' A' ' 50' ' ' LYS . 5.9 t -55.58 -46.32 77.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 108.309 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 45' ' ' VAL . 1.8 m -74.94 -32.71 61.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.383 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.859 HG22 ' HD2' ' A' ' 53' ' ' ARG . 2.0 mm -56.3 -31.4 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.522 ' CD ' ' O ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -49.06 -33.33 11.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.232 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.937 ' HG2' HD22 ' A' ' 52' ' ' LEU . 3.4 pt-20 -69.85 -37.54 76.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.937 HD22 ' HG2' ' A' ' 51' ' ' GLU . 2.4 mm? -67.6 -58.58 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.859 ' HD2' HG22 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -67.79 -35.99 79.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.42 1.075 . . . . 0.0 110.275 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 50' ' ' LYS . 29.4 ptt180 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.269 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.647 ' NE ' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.752 ' O ' HD12 ' A' ' 2' ' ' ILE . 1.5 pp -113.37 136.26 50.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.357 1.035 . . . . 0.0 109.313 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.647 ' CE1' ' NE ' ' A' ' 1' ' ' ARG . 3.1 m-30 -93.77 32.32 1.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 111.033 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.515 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 41.28 33.57 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.249 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.473 ' O ' ' C ' ' A' ' 6' ' ' VAL . . . 77.72 43.87 13.84 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 110.972 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.806 HG13 ' N ' ' A' ' 7' ' ' ILE . 1.6 p 35.1 -150.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.498 0.763 . . . . 0.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.806 ' N ' HG13 ' A' ' 6' ' ' VAL . 1.0 OUTLIER -126.73 -47.46 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.422 1.076 . . . . 0.0 109.314 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.478 ' C ' ' N ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -55.98 -23.47 32.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.559 ' HB2' HG12 ' A' ' 6' ' ' VAL . . . -42.29 -25.09 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.478 ' N ' ' C ' ' A' ' 8' ' ' GLN . 14.1 mt -47.2 -22.4 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 14' ' ' ASP . 2.2 pp0? -43.66 -28.52 0.41 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 0.0 110.345 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.465 ' HD3' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -46.32 -30.65 2.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.465 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 4.9 m -61.14 -35.98 78.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.038 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 11' ' ' GLN . 1.7 m-20 -64.11 -29.94 71.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.82 -48.86 67.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.86 -51.97 4.14 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.548 1.155 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 59.2 156.2 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.496 0.762 . . . . 0.0 109.608 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.792 ' HD2' ' HB3' ' A' ' 21' ' ' ALA . 18.1 Cg_endo -75.08 -66.16 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.598 1.841 . . . . 0.0 110.966 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 179.3 -55.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.572 ' CD ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -73.5 -28.09 61.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.352 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.792 ' HB3' ' HD2' ' A' ' 18' ' ' PRO . . . -58.46 -32.82 69.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.423 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -69.58 -36.46 76.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.936 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.008 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -55.77 -47.41 77.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.377 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 1.008 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -52.67 -26.98 15.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.545 1.153 . . . . 0.0 110.332 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 22' ' ' TYR . 8.1 t -54.96 -19.28 6.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.571 ' HG2' HD22 ' A' ' 23' ' ' LEU . 1.3 pp20? -58.07 -40.44 81.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 110.258 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 24' ' ' GLU . 1.3 p -73.75 -40.99 54.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.45 -40.0 81.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.16 . . . . 0.0 109.334 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.2 pt -78.66 -33.99 17.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.4 m -54.41 -33.22 58.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.506 ' O ' HG23 ' A' ' 34' ' ' VAL . 16.0 tt0 -70.01 -49.69 48.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.267 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -70.95 -36.99 72.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.85 HD21 ' HG2' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -50.66 -22.73 2.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.563 1.165 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 31' ' ' GLU . 61.9 t -56.12 -38.16 52.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -58.62 -25.52 62.76 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 38' ' ' SER . 26.1 mmmt -60.25 -30.09 69.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.224 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -41.62 -26.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 36' ' ' LYS . 16.7 m -54.72 -37.24 65.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.061 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.936 ' HB3' HG23 ' A' ' 45' ' ' VAL . 32.6 m120 -48.5 -30.73 5.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.449 ' N ' ' OD1' ' A' ' 46' ' ' ASN . 0.3 OUTLIER -58.64 -13.84 6.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.084 . . . . 0.0 110.002 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.648 ' C ' HD13 ' A' ' 42' ' ' LEU . . . -58.99 -36.6 75.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.814 HD22 ' O ' ' A' ' 39' ' ' ASN . 0.0 OUTLIER -98.49 -18.24 18.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 66.37 54.65 22.26 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 -139.17 -102.14 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 0.0 109.607 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.936 HG23 ' HB3' ' A' ' 39' ' ' ASN . 2.5 m -41.42 -34.63 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 40' ' ' SER . 3.6 t30 -45.06 -33.94 2.33 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -56.34 -43.77 79.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.601 1.188 . . . . 0.0 108.287 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.546 HG22 ' CD1' ' A' ' 49' ' ' ILE . 0.6 OUTLIER -71.45 -35.23 70.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.356 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.546 ' CD1' HG22 ' A' ' 48' ' ' THR . 1.2 mp -58.92 -35.16 55.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -55.61 -36.36 66.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -34.12 70.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.466 ' HB2' HD11 ' A' ' 33' ' ' LEU . 25.1 mt -61.91 -56.64 17.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.85 ' HG2' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -77.45 -33.35 54.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.225 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.83 HG22 ' HG2' ' A' ' 4' ' ' LYS . 0.7 OUTLIER -126.71 -54.21 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.337 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.457 ' CB ' ' O ' ' A' ' 2' ' ' ILE . 7.5 t80 70.67 5.42 5.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.83 ' HG2' HG22 ' A' ' 2' ' ' ILE . 2.6 ptpp? -126.29 4.08 7.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 149.57 72.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.471 ' HA ' HD12 ' A' ' 2' ' ' ILE . 0.3 OUTLIER -109.33 -6.41 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 109.224 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.512 ' O ' HD13 ' A' ' 10' ' ' ILE . 38.4 mt -39.92 -30.12 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.453 ' N ' ' C ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -51.19 -22.89 2.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.403 ' O ' ' HG3' ' A' ' 12' ' ' LYS . . . -50.44 -22.48 1.92 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.443 1.089 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.512 HD13 ' O ' ' A' ' 7' ' ' ILE . 2.4 mp -70.7 -24.7 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 14' ' ' ASP . 15.3 pt20 -44.38 -26.06 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.425 ' HD3' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -46.25 -31.78 2.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.425 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -59.29 -36.79 76.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.182 . . . . 0.0 110.027 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.498 ' O ' ' CD ' ' A' ' 18' ' ' PRO . 9.0 t0 -69.13 -29.95 68.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.82 -2.79 25.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.331 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -93.12 58.18 2.41 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.13 . . . . 0.0 111.043 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.514 ' CG ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER 177.77 -58.36 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.494 0.761 . . . . 0.0 109.566 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.514 ' HD3' ' CG ' ' A' ' 17' ' ' HIS . 18.4 Cg_endo -74.96 166.28 29.55 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.527 1.804 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -116.87 -37.61 3.58 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.42 1.075 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.431 ' HG2' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -63.93 -31.47 72.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.332 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.431 ' N ' ' HG2' ' A' ' 20' ' ' ARG . . . -58.4 -34.42 70.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -75.17 -35.91 61.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.019 HD23 ' N ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -55.64 -47.23 76.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 1.031 ' O ' HG22 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -52.59 -27.74 18.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.6 t -55.39 -18.5 6.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.142 . . . . 0.0 109.949 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -57.62 -30.57 65.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.12 . . . . 0.0 110.317 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 1.031 HG22 ' O ' ' A' ' 24' ' ' GLU . 35.2 m -74.86 -33.21 29.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.02 -39.7 75.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.419 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 3.7 pt -79.83 -30.51 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.353 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.823 ' O ' HG22 ' A' ' 34' ' ' VAL . 0.8 OUTLIER -48.38 -44.78 35.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.978 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.457 ' HA ' ' CG2' ' A' ' 34' ' ' VAL . 3.4 pt-20 -71.86 -32.06 67.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 0.0 110.256 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 36' ' ' LYS . 2.7 mm-40 -70.57 -54.58 11.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.257 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.815 HD21 ' HA ' ' A' ' 30' ' ' SER . 1.7 pp -52.99 -56.79 13.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.823 HG22 ' O ' ' A' ' 30' ' ' SER . 30.4 m -54.96 -38.23 44.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.425 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 7.0 mm100 -71.25 -30.13 65.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.404 1.065 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.56 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -60.8 -29.42 69.44 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.429 1.08 . . . . 0.0 109.349 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -54.08 -18.17 3.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 111.027 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.568 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 1.6 m -58.32 -38.61 77.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.99 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.952 ' O ' HD22 ' A' ' 42' ' ' LEU . 4.0 m-80 -54.89 -30.06 57.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.1 t -58.03 -13.17 4.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 0.0 110.003 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.89 -35.72 73.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.952 HD22 ' O ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -56.59 -20.83 22.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.556 ' O ' ' CG ' ' A' ' 44' ' ' HIS . . . 133.04 -32.17 2.79 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.451 1.095 . . . . 0.0 111.05 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER 159.12 122.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.618 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.498 ' O ' ' CG2' ' A' ' 48' ' ' THR . 8.6 p -177.93 -37.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.463 ' HB2' ' CB ' ' A' ' 39' ' ' ASN . 0.6 OUTLIER -102.3 -30.35 11.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.5 t -53.14 -30.79 38.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 108.256 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.929 HG23 HD13 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -59.84 -40.69 89.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.33 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.929 HD13 HG23 ' A' ' 48' ' ' THR . 1.2 mp -76.74 -33.11 21.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.233 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.71 -31.48 26.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.341 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.471 ' HG2' ' CD2' ' A' ' 52' ' ' LEU . 8.4 pt-20 -53.15 -33.13 51.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.274 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.471 ' CD2' ' HG2' ' A' ' 51' ' ' GLU . 2.4 mm? -59.11 -44.9 92.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.652 ' HD2' HD22 ' A' ' 33' ' ' LEU . 11.7 mmt180 -55.22 -38.5 68.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.128 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.415 1.072 . . . . 0.0 110.324 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.5 ttm-85 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.3 mt 63.17 -83.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.417 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER 179.08 34.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 111.068 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 3' ' ' TYR . 8.1 tttm 170.27 -33.29 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.228 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.63 55.47 0.7 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.452 1.095 . . . . 0.0 111.029 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.424 ' CG1' ' N ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -112.41 -45.22 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 0.792 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.424 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 17.7 mt 77.87 -45.71 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 10' ' ' ILE . 2.3 pt20 -52.76 -20.04 2.89 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.532 1.145 . . . . 0.0 110.264 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.476 ' O ' ' HG3' ' A' ' 12' ' ' LYS . . . -40.98 -27.04 0.05 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.113 . . . . 0.0 109.256 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.461 ' N ' ' O ' ' A' ' 8' ' ' GLN . 22.9 pt -45.44 -22.97 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.46 ' N ' ' C ' ' A' ' 9' ' ' ALA . 2.0 pt20 -44.32 -26.99 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.497 ' CD ' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -46.7 -30.43 2.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.497 ' N ' ' CD ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -59.14 -35.71 73.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 11' ' ' GLN . 75.5 m-20 -71.53 -29.86 65.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -74.65 -16.99 60.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 110.347 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 61.37 34.87 89.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.143 . . . . 0.0 111.047 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.6 ' CE1' ' HB2' ' A' ' 22' ' ' TYR . 5.0 t-80 46.63 80.46 0.29 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.506 0.768 . . . . 0.0 109.604 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.443 ' HD2' ' CB ' ' A' ' 21' ' ' ALA . 18.1 Cg_endo -75.01 -60.65 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.471 1.774 . . . . 0.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -172.58 -55.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.564 ' CD ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -64.39 -27.5 69.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.564 ' N ' ' CD ' ' A' ' 20' ' ' ARG . . . -57.96 -33.15 68.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.6 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -74.94 -36.5 62.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.135 . . . . 0.0 110.999 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.911 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -57.49 -47.75 81.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.25 -179.915 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 1.026 ' O ' HG22 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -53.33 -27.07 21.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 t -54.98 -18.9 5.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.985 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.426 ' OE2' HD21 ' A' ' 23' ' ' LEU . 22.4 pt-20 -57.89 -27.97 63.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 1.026 HG22 ' O ' ' A' ' 24' ' ' GLU . 34.7 m -73.43 -32.93 38.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.447 ' O ' ' HG3' ' A' ' 31' ' ' GLU . . . -64.68 -35.76 82.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.471 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 6.7 pt -83.14 -35.89 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.419 ' N ' HG13 ' A' ' 29' ' ' ILE . 10.7 t -67.8 -46.15 72.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.949 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.764 ' O ' HG22 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -58.76 -46.55 87.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.26 -179.908 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.457 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 12.6 pt-20 -70.57 -35.8 73.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.99 HD13 ' O ' ' A' ' 33' ' ' LEU . 1.8 tm? -46.46 -25.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.764 HG22 ' O ' ' A' ' 31' ' ' GLU . 11.0 m -57.38 -37.67 58.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -58.32 -25.58 62.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.367 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.833 ' HG3' HD22 ' A' ' 33' ' ' LEU . 9.5 mmtt -59.58 -30.02 68.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.238 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -41.41 -25.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.437 ' N ' ' C ' ' A' ' 36' ' ' LYS . 1.6 m -54.64 -36.51 64.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.098 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.916 ' O ' HD22 ' A' ' 42' ' ' LEU . 7.6 m-20 -48.4 -30.22 4.8 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.4 t -58.75 -13.89 7.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.531 ' C ' HD13 ' A' ' 42' ' ' LEU . . . -59.21 -37.25 77.01 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.433 1.083 . . . . 0.0 109.336 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.916 HD22 ' O ' ' A' ' 39' ' ' ASN . 0.0 OUTLIER -88.29 -39.7 14.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.31 32.97 15.14 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.635 ' C ' HG12 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -156.65 65.01 0.53 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.55 0.794 . . . . 0.0 109.631 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.808 HG13 ' HB3' ' A' ' 39' ' ' ASN . 0.2 OUTLIER 173.83 -44.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.234 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.402 ' O ' ' HG2' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -45.4 -33.81 2.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.3 t -54.92 -41.87 71.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 108.331 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.571 HG22 ' O ' ' A' ' 45' ' ' VAL . 1.2 t -72.52 -34.24 67.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 110.453 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.72 HG23 HD11 ' A' ' 33' ' ' LEU . 1.2 mp -57.64 -33.98 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 54' ' ' ARG . 3.2 mmtm -52.79 -35.74 57.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.39 -34.05 72.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.418 1.074 . . . . 0.0 110.256 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.545 ' CD1' HD21 ' A' ' 33' ' ' LEU . 28.9 mt -65.66 -57.05 9.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -72.62 -33.54 66.74 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.558 1.161 . . . . 0.0 110.292 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 110.269 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.795 HG21 ' HB2' ' A' ' 9' ' ' ALA . 1.2 pp -103.08 178.79 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -119.85 -7.91 9.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.525 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -176.82 36.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 6' ' ' VAL . . . 58.02 67.59 2.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.555 1.16 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.594 HG23 ' N ' ' A' ' 7' ' ' ILE . 2.7 m -58.74 -157.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.757 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.769 ' O ' HD12 ' A' ' 10' ' ' ILE . 36.8 pt -101.37 -48.38 11.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.585 1.178 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.499 ' HG2' ' CG2' ' A' ' 6' ' ' VAL . 0.5 OUTLIER -56.55 -27.28 57.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.308 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.795 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -42.13 -28.52 0.19 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.122 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.769 HD12 ' O ' ' A' ' 7' ' ' ILE . 0.7 OUTLIER -48.32 -23.01 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 14' ' ' ASP . 0.5 OUTLIER -45.12 -28.23 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.333 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.423 ' HD3' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -46.93 -31.85 3.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.423 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 51.6 m -60.6 -35.46 76.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.034 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 11' ' ' GLN . 0.6 OUTLIER -69.71 -29.88 67.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -68.84 -38.82 80.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.577 ' HA3' ' CE1' ' A' ' 22' ' ' TYR . . . -83.09 49.38 4.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.524 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -73.6 -50.93 5.66 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 109.615 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 18.3 Cg_endo -74.99 -89.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -173.23 -43.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 111.044 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.546 ' CD ' ' H ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -76.95 -31.61 56.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.38 -30.74 52.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.108 . . . . 0.0 109.254 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.577 ' CE1' ' HA3' ' A' ' 16' ' ' GLY . 0.4 OUTLIER -66.77 -30.46 70.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 111.049 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.87 HD12 ' C ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -52.86 -40.77 63.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.692 ' N ' HD12 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -53.57 -26.93 23.64 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 62.2 m -54.09 -19.58 5.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.056 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.422 ' O ' HG12 ' A' ' 29' ' ' ILE . 14.7 pt-20 -58.67 -27.53 64.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 110.304 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.567 HG13 ' O ' ' A' ' 24' ' ' GLU . 1.9 m -74.32 -41.1 50.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.95 -36.58 72.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.447 HG13 ' N ' ' A' ' 30' ' ' SER . 3.2 pt -79.22 -34.21 16.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.511 ' O ' HG23 ' A' ' 34' ' ' VAL . 4.4 m -54.88 -33.3 61.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -69.28 -48.25 62.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.373 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 35' ' ' GLN . 1.8 mt-10 -71.21 -37.95 72.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.543 HD21 ' N ' ' A' ' 53' ' ' ARG . 15.5 tp -47.01 -28.02 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 30' ' ' SER . 2.8 t -72.24 -47.78 51.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -58.8 -21.92 57.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.738 ' CB ' HG21 ' A' ' 49' ' ' ILE . 8.1 mmtt -57.79 -30.38 65.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.479 ' HB3' ' O ' ' A' ' 34' ' ' VAL . 3.8 p90 -41.08 -26.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -54.61 -35.32 63.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.123 . . . . 0.0 109.937 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.479 ' CG ' HG21 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -47.33 -29.67 2.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 109.241 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.486 ' CA ' ' HB3' ' A' ' 46' ' ' ASN . 0.6 OUTLIER -56.4 -16.56 5.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.031 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.72 -35.92 79.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.108 . . . . 0.0 109.224 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.495 HD22 ' C ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -59.61 -48.74 80.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.231 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 125.09 -0.25 8.25 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.462 1.102 . . . . 0.0 111.016 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.711 ' C ' HG12 ' A' ' 45' ' ' VAL . 1.3 t-160 -177.18 108.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 109.58 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.711 HG12 ' C ' ' A' ' 44' ' ' HIS . 0.9 OUTLIER 161.76 -43.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.486 ' HB3' ' CA ' ' A' ' 40' ' ' SER . 2.5 p-10 -56.52 -39.33 73.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.35 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.478 ' HA ' ' CG ' ' A' ' 50' ' ' LYS . 0.5 OUTLIER -57.01 -32.63 66.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 108.252 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.713 HG22 HD13 ' A' ' 49' ' ' ILE . 0.9 OUTLIER -77.25 -34.38 55.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.417 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.738 HG21 ' CB ' ' A' ' 36' ' ' LYS . 6.0 mm -76.11 -48.35 28.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.359 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.478 ' CG ' ' HA ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -53.18 -31.33 42.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.898 ' HG3' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -60.56 -32.87 71.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.393 1.058 . . . . 0.0 110.266 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.898 HD22 ' HG3' ' A' ' 51' ' ' GLU . 2.7 mm? -68.15 -59.78 2.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.543 ' N ' HD21 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -65.58 -33.2 75.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.669 HG22 ' HB3' ' A' ' 4' ' ' LYS . 4.1 mt 70.76 -58.61 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.497 ' CB ' ' O ' ' A' ' 2' ' ' ILE . 0.1 OUTLIER 73.78 8.21 4.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.669 ' HB3' HG22 ' A' ' 2' ' ' ILE . 0.0 OUTLIER -83.19 -18.12 40.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 6' ' ' VAL . . . 128.95 42.28 0.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.584 1.177 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.794 HG13 ' N ' ' A' ' 7' ' ' ILE . 1.2 p 35.88 -152.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.448 0.734 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.794 ' N ' HG13 ' A' ' 6' ' ' VAL . 1.1 pt -123.56 -44.54 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.591 1.182 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.471 ' C ' ' N ' ' A' ' 10' ' ' ILE . 1.1 pt20 -54.37 -19.39 5.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.564 ' O ' ' CG ' ' A' ' 12' ' ' LYS . . . -39.13 -29.5 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.079 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.515 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -98.7 -59.78 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 14' ' ' ASP . 3.3 pt20 -46.11 -27.63 1.01 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.595 ' NZ ' ' CE1' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -46.1 -32.46 2.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.418 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -59.44 -36.37 75.78 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 0.0 109.982 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -67.96 -29.67 68.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.345 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -73.85 -34.68 64.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.165 . . . . 0.0 110.27 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 17' ' ' HIS . . . 70.43 45.62 53.3 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.595 ' CE1' ' NZ ' ' A' ' 12' ' ' LYS . 2.4 m-70 39.02 77.71 0.4 Allowed Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.43 0.723 . . . . 0.0 109.601 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.509 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 18.5 Cg_endo -74.88 -162.69 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.516 1.798 . . . . 0.0 111.044 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -138.56 -55.28 0.62 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 0.0 110.948 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.58 ' CD ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -73.83 -27.95 61.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 110.291 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.58 ' N ' ' CD ' ' A' ' 20' ' ' ARG . . . -58.16 -32.92 68.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -73.43 -36.61 65.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.989 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -55.65 -46.19 77.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.596 1.185 . . . . 0.0 109.326 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.989 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -52.47 -26.98 14.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.611 ' O ' HG23 ' A' ' 29' ' ' ILE . 15.2 m -55.03 -19.87 8.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.982 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.528 ' HG2' HD22 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -58.56 -27.96 65.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.8 t -73.87 -33.84 38.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.55 -49.07 51.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.611 HG23 ' O ' ' A' ' 25' ' ' SER . 3.3 pt -58.98 -34.09 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.758 ' O ' HG23 ' A' ' 34' ' ' VAL . 41.3 t -60.69 -51.47 69.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.017 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 10.7 pt-20 -71.0 -38.84 72.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' GLN . 1.7 mt-10 -71.43 -50.89 27.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.878 HD13 ' O ' ' A' ' 33' ' ' LEU . 2.0 tm? -45.67 -25.89 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 30' ' ' SER . 11.4 t -63.39 -44.13 98.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.26 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 32' ' ' GLU . 1.2 pp0? -68.78 -25.99 64.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.426 ' C ' ' N ' ' A' ' 38' ' ' SER . 15.2 mttt -64.59 -30.77 71.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.55 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.7 OUTLIER -42.44 -25.58 0.08 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.446 1.091 . . . . 0.0 111.061 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.55 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -54.94 -38.44 67.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 110.012 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.922 ' O ' HD22 ' A' ' 42' ' ' LEU . 1.2 t-20 -59.72 -29.52 68.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 p -57.52 -15.16 6.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 109.961 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.74 -36.86 77.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.255 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.922 HD22 ' O ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -55.21 -83.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.68 21.74 3.74 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 28.4 m80 66.05 68.73 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 0.79 . . . . 0.0 109.599 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.04 -17.69 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -100.98 -32.6 10.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.2 m -55.49 -31.75 62.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 108.296 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.718 HG23 HD13 ' A' ' 49' ' ' ILE . 0.8 OUTLIER -60.72 -35.18 75.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.392 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.718 HD13 HG23 ' A' ' 48' ' ' THR . 7.2 mm -76.35 -34.66 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.464 ' HD2' ' CD1' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -53.52 -33.59 55.05 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.507 ' HG2' HD12 ' A' ' 52' ' ' LEU . 4.1 pt-20 -55.64 -35.35 65.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 110.349 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.507 HD12 ' HG2' ' A' ' 51' ' ' GLU . 2.8 mp -67.35 -51.48 51.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.5 ' HG3' HD12 ' A' ' 33' ' ' LEU . 10.0 mmm180 -67.03 -33.61 75.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.269 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.366 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.824 0 N-CA-C 111.004 -0.422 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 t80 179.7 -48.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.075 . . . . 0.0 110.967 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.437 ' HG2' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -64.48 -31.25 72.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.437 ' N ' ' HG2' ' A' ' 20' ' ' ARG . . . -58.16 -34.46 70.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -74.99 -36.15 62.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.017 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -57.35 -47.29 81.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.342 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 1.017 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -52.87 -26.99 16.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.406 1.066 . . . . 0.0 110.314 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.601 ' O ' HG23 ' A' ' 29' ' ' ILE . 3.1 t -54.91 -19.17 6.04 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.474 1.109 . . . . 0.0 109.956 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.405 ' O ' HG12 ' A' ' 29' ' ' ILE . 25.5 pt-20 -57.87 -27.98 63.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.03 -33.97 37.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.569 1.168 . . . . 0.0 109.35 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.48 -49.26 50.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.601 HG23 ' O ' ' A' ' 25' ' ' SER . 3.1 pt -58.42 -39.55 75.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.768 ' O ' HG23 ' A' ' 34' ' ' VAL . 68.2 m -54.68 -40.45 69.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.44 1.087 . . . . 0.0 109.98 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.479 ' OE1' ' CA ' ' A' ' 31' ' ' GLU . 2.0 tp10 -69.22 -41.85 76.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 2.0 tt0 -69.69 -44.0 71.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.246 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.908 HD23 ' HG2' ' A' ' 53' ' ' ARG . 2.6 tp -46.06 -49.34 16.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 30' ' ' SER . 3.4 t -62.44 -35.4 69.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 32' ' ' GLU . 12.2 mt-30 -70.91 -24.14 62.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 44.1 mmtt -58.81 -28.91 66.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.455 ' HB3' ' O ' ' A' ' 34' ' ' VAL . 3.4 p90 -40.33 -27.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' LYS . 0.3 OUTLIER -54.57 -38.68 66.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.984 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.787 ' O ' HD22 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -64.58 -30.78 71.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.358 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.475 ' CB ' ' HB2' ' A' ' 47' ' ' CYS . 0.9 OUTLIER -59.09 -13.04 5.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.17 -34.72 70.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.787 HD22 ' O ' ' A' ' 39' ' ' ASN . 0.1 OUTLIER -80.45 53.11 1.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.616 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . 87.37 -57.53 4.5 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.43 1.081 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.654 ' C ' HG22 ' A' ' 45' ' ' VAL . 0.9 OUTLIER 153.18 133.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 0.739 . . . . 0.0 109.556 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.654 HG22 ' C ' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -168.06 -60.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.429 ' ND2' ' HB2' ' A' ' 39' ' ' ASN . 9.2 m-20 -71.39 -31.95 67.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.475 ' HB2' ' CB ' ' A' ' 40' ' ' SER . 12.2 t -55.32 -30.81 60.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.107 . . . . 0.0 108.273 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.483 HG22 HD13 ' A' ' 49' ' ' ILE . 0.7 OUTLIER -59.9 -34.58 73.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.483 HD13 HG22 ' A' ' 48' ' ' THR . 1.3 mp -73.4 -33.31 39.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -52.25 -31.82 34.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -52.63 -30.13 29.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.6 mt -57.22 -54.26 48.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.908 ' HG2' HD23 ' A' ' 33' ' ' LEU . 15.8 mmm180 -56.48 -38.62 71.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 110.326 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 110.962 -0.438 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 t80 178.99 -49.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.439 ' HG2' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -62.61 -31.39 72.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.439 ' N ' ' HG2' ' A' ' 20' ' ' ARG . . . -58.22 -34.31 70.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -75.04 -35.98 61.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.415 1.072 . . . . 0.0 110.942 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.009 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -56.81 -47.51 80.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 1.009 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -52.92 -27.46 18.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.27 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 t -55.15 -19.0 6.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.521 ' HG2' HD22 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -57.99 -31.1 66.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 110.288 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.83 HG22 ' O ' ' A' ' 24' ' ' GLU . 11.5 m -73.84 -34.26 39.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.435 ' O ' ' HG2' ' A' ' 31' ' ' GLU . . . -63.2 -36.0 82.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.518 ' O ' ' CB ' ' A' ' 33' ' ' LEU . 5.2 pt -81.48 -34.58 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.491 ' O ' HG23 ' A' ' 34' ' ' VAL . 53.2 m -65.4 -46.49 79.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.987 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 28' ' ' ALA . 12.5 pt-20 -60.69 -49.44 77.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.546 1.154 . . . . 0.0 110.25 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 29' ' ' ILE . 8.6 pt-20 -71.25 -36.65 71.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.045 HD11 HG23 ' A' ' 49' ' ' ILE . 2.6 tp -53.1 -22.85 6.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 30' ' ' SER . 79.1 t -56.83 -37.1 52.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.414 1.071 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -61.67 -22.33 65.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 110.272 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.929 ' HG3' HD12 ' A' ' 33' ' ' LEU . 2.2 mmpt? -58.36 -30.61 66.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.485 ' HB3' ' O ' ' A' ' 34' ' ' VAL . 3.3 p90 -40.67 -27.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -55.21 -37.89 67.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.998 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.536 ' HB3' HG13 ' A' ' 45' ' ' VAL . 11.5 m-20 -63.55 -29.95 71.14 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.413 1.07 . . . . 0.0 109.23 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.411 ' N ' ' HB2' ' A' ' 46' ' ' ASN . 0.4 OUTLIER -57.36 -10.19 1.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.059 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.411 ' H ' ' C ' ' A' ' 39' ' ' ASN . . . -54.35 -33.96 60.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.834 HD13 ' HB2' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -96.07 -24.77 16.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.732 ' N ' HD12 ' A' ' 42' ' ' LEU . . . 71.39 54.81 8.32 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.834 ' HB2' HD13 ' A' ' 42' ' ' LEU . 80.8 m-70 -138.41 -91.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 0.743 . . . . 0.0 109.561 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.536 HG13 ' HB3' ' A' ' 39' ' ' ASN . 3.5 p -50.63 -47.98 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.411 ' HB2' ' N ' ' A' ' 40' ' ' SER . 5.5 t30 -47.35 -32.75 5.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.524 ' O ' ' CD ' ' A' ' 50' ' ' LYS . 1.0 OUTLIER -55.95 -37.13 68.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 108.288 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 45' ' ' VAL . 1.0 OUTLIER -73.96 -33.32 63.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.399 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 1.045 HG23 HD11 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -56.45 -34.15 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.249 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.524 ' CD ' ' O ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -50.93 -34.18 27.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -70.18 -34.46 72.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.844 HD12 HD22 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -67.12 -57.86 5.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.42 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.472 ' HD2' HG22 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -71.46 -33.39 69.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.561 1.163 . . . . 0.0 110.209 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.918 0 N-CA-C 111.039 -0.408 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.88 -34.3 3.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.566 ' CD ' ' H ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -75.5 -29.43 59.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.252 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.5 -32.64 51.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -60.9 -34.73 75.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.988 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -64.9 -47.54 77.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.988 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -52.81 -27.07 16.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.539 ' O ' HG23 ' A' ' 29' ' ' ILE . 10.4 m -54.99 -19.63 7.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.519 ' HG2' HD22 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -58.39 -42.85 88.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.213 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' ' 24' ' ' GLU . 1.7 p -74.13 -37.22 46.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.92 -38.35 82.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.352 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.539 HG23 ' O ' ' A' ' 25' ' ' SER . 24.8 pt -78.88 -33.27 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.964 ' O ' HG23 ' A' ' 34' ' ' VAL . 15.1 t -53.63 -45.45 70.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 110.014 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -70.32 -38.55 74.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -70.02 -51.19 34.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.078 . . . . 0.0 110.29 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.904 HD12 HG22 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -47.01 -34.78 5.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.382 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.964 HG23 ' O ' ' A' ' 30' ' ' SER . 45.3 t -65.64 -39.47 85.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' GLU . 6.2 mm100 -69.54 -23.97 63.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.416 ' C ' ' N ' ' A' ' 38' ' ' SER . 8.6 mmtt -59.25 -31.28 68.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.421 ' HB3' ' O ' ' A' ' 34' ' ' VAL . 2.0 p90 -41.82 -26.82 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.416 ' N ' ' C ' ' A' ' 36' ' ' LYS . 68.5 p -58.27 -40.58 82.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 110.028 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.949 ' O ' HD22 ' A' ' 42' ' ' LEU . 4.4 m-20 -76.29 -31.24 58.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.233 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.2 p -60.09 -12.63 8.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 109.985 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -58.52 -44.36 89.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.343 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.949 HD22 ' O ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -39.57 -88.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.56 10.12 6.44 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.523 1.14 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.587 ' CE1' ' SG ' ' A' ' 47' ' ' CYS . 0.2 OUTLIER 79.65 102.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 0.739 . . . . 0.0 109.615 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.481 ' O ' HG22 ' A' ' 48' ' ' THR . 0.0 OUTLIER -141.45 -46.81 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.168 . . . . 0.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.42 ' ND2' ' HB2' ' A' ' 39' ' ' ASN . 38.6 m-80 -75.2 -32.74 61.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.132 . . . . 0.0 109.241 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.587 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 0.9 OUTLIER -55.49 -31.03 61.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 108.321 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.694 HG23 HD13 ' A' ' 49' ' ' ILE . 0.9 OUTLIER -60.45 -34.86 74.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.904 HG22 HD12 ' A' ' 33' ' ' LEU . 6.2 mm -75.82 -34.31 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 109.321 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.637 ' HA ' HD21 ' A' ' 33' ' ' LEU . 1.5 mtpm? -53.58 -31.62 47.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.663 ' HG2' HD22 ' A' ' 52' ' ' LEU . 7.6 pt-20 -53.6 -33.88 56.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.663 HD22 ' HG2' ' A' ' 51' ' ' GLU . 4.2 mm? -59.63 -49.51 77.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.378 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.786 ' HG3' HD22 ' A' ' 33' ' ' LEU . 16.1 mmm180 -70.5 -42.92 70.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.395 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.412 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.81 0 N-CA-C 111.03 -0.412 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -119.34 -35.65 3.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.749 ' NH1' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -71.86 -32.19 67.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.339 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.412 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -58.56 -35.76 72.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.411 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.1 OUTLIER -70.88 -35.43 72.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 110.998 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.749 HD13 ' NH1' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -54.85 -47.42 74.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.729 ' O ' HG22 ' A' ' 27' ' ' VAL . 0.3 OUTLIER -52.91 -27.37 18.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.357 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.585 ' O ' HG23 ' A' ' 29' ' ' ILE . 1.6 t -55.46 -18.89 7.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.406 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 10.6 pt-20 -58.17 -46.2 86.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.729 HG22 ' O ' ' A' ' 24' ' ' GLU . 5.9 m -74.18 -34.69 38.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.46 -38.86 91.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.585 HG23 ' O ' ' A' ' 25' ' ' SER . 31.1 pt -78.22 -34.0 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 t -56.23 -33.72 65.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.004 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.782 ' O ' HG22 ' A' ' 34' ' ' VAL . 6.7 tp10 -69.23 -45.38 69.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.127 . . . . 0.0 110.268 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 35' ' ' GLN . 8.7 mt-10 -71.96 -36.09 69.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.664 ' CD2' HD22 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -47.26 -31.14 3.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.566 1.166 . . . . 0.0 109.397 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.782 HG22 ' O ' ' A' ' 31' ' ' GLU . 6.4 m -52.37 -37.41 23.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.421 ' HB2' ' O ' ' A' ' 32' ' ' GLU . 35.2 mt-30 -57.49 -25.96 60.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.412 1.07 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 38' ' ' SER . 14.4 mttt -61.69 -25.53 67.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -38.89 -27.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 36' ' ' LYS . 0.3 OUTLIER -53.71 -37.67 63.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.024 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.768 ' HB3' HG23 ' A' ' 45' ' ' VAL . 65.7 m-20 -52.62 -29.13 24.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.418 ' N ' ' HB2' ' A' ' 46' ' ' ASN . 3.0 t -56.92 -14.6 3.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.78 -35.55 72.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.912 HD12 ' HB2' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -96.38 -27.52 14.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.264 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.64 37.9 77.52 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.57 1.169 . . . . 0.0 110.935 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.912 ' HB2' HD12 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -119.88 -80.12 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.62 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.768 HG23 ' HB3' ' A' ' 39' ' ' ASN . 4.1 m -63.91 -37.47 79.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.418 ' HB2' ' N ' ' A' ' 40' ' ' SER . 10.5 t-20 -43.95 -33.65 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -55.72 -41.24 73.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 0.0 108.262 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -75.5 -34.13 60.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.45 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.562 HG23 ' CD1' ' A' ' 33' ' ' LEU . 0.9 OUTLIER -57.66 -41.59 79.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -51.62 -35.29 41.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.075 . . . . 0.0 109.239 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.435 ' N ' ' HG3' ' A' ' 50' ' ' LYS . 23.7 mt-10 -68.55 -40.14 80.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 110.193 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.664 HD22 ' CD2' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -67.89 -47.49 68.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.236 -179.884 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.597 ' CD ' HD12 ' A' ' 33' ' ' LEU . 33.0 mmm-85 -54.55 -45.72 73.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.443 1.089 . . . . 0.0 110.317 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.524 ' HG2' ' HB2' ' A' ' 21' ' ' ALA . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 N-CA-C 110.974 -0.433 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -65.47 -35.88 82.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 111.051 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.6 -31.73 72.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 110.238 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.524 ' HB2' ' HG2' ' A' ' 18' ' ' PRO . . . -58.16 -44.27 87.85 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.5 1.125 . . . . 0.0 109.216 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.42 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -62.62 -35.21 78.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 111.001 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.499 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -54.81 -47.73 73.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.48 ' N ' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -52.89 -27.22 17.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.593 ' O ' HG23 ' A' ' 29' ' ' ILE . 7.3 t -54.88 -19.83 7.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.117 . . . . 0.0 110.008 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -58.46 -27.99 64.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.0 t -73.8 -33.79 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.48 -48.82 53.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.593 HG23 ' O ' ' A' ' 25' ' ' SER . 3.0 pt -59.33 -39.67 79.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.455 ' O ' HG23 ' A' ' 34' ' ' VAL . 73.5 m -55.1 -43.55 74.14 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 110.019 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -69.32 -37.8 77.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 35' ' ' GLN . 71.0 mm-40 -70.73 -44.6 66.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.55 HD21 HG22 ' A' ' 49' ' ' ILE . 12.5 tp -47.19 -32.6 4.54 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' A' ' 37' ' ' TYR . 11.5 t -55.78 -35.96 41.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.5 ' CG ' ' O ' ' A' ' 32' ' ' GLU . 1.2 pp0? -62.03 -23.07 66.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.42 ' C ' ' N ' ' A' ' 38' ' ' SER . 30.7 mmtt -60.15 -32.29 70.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.474 ' HB3' ' O ' ' A' ' 34' ' ' VAL . 1.6 p90 -42.38 -25.58 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -54.69 -36.66 64.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 110.012 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.804 ' O ' HD22 ' A' ' 42' ' ' LEU . 8.1 m-80 -49.16 -30.14 6.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.75 -15.88 9.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 110.02 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.9 -36.33 83.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.804 HD22 ' O ' ' A' ' 39' ' ' ASN . 0.1 OUTLIER -75.72 -73.16 0.27 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -168.73 32.32 0.18 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 72.47 113.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 0.793 . . . . 0.0 109.566 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 45' ' ' VAL . 5.9 p -165.61 30.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.469 ' HB2' ' CB ' ' A' ' 39' ' ' ASN . 0.5 OUTLIER 179.79 -33.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.495 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 2.1 t -54.85 -28.71 51.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 108.31 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 1.025 HG23 HD13 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -70.92 -34.91 71.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.423 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 1.025 HD13 HG23 ' A' ' 48' ' ' THR . 0.9 OUTLIER -78.05 -48.14 23.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.514 ' HA ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -54.39 -34.61 61.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.414 ' OE1' ' HA ' ' A' ' 48' ' ' THR . 1.8 pt-20 -55.43 -32.35 62.65 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.526 1.142 . . . . 0.0 110.256 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.5 tp -58.88 -54.37 47.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.364 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.529 ' HG3' HD22 ' A' ' 33' ' ' LEU . 31.0 mmt180 -71.39 -33.62 69.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.344 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.434 ' HB2' HG22 ' A' ' 34' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.547 ' HG2' ' HB2' ' A' ' 21' ' ' ALA . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 110.981 -0.431 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -74.69 -35.45 62.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -31.68 72.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.107 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.547 ' HB2' ' HG2' ' A' ' 18' ' ' PRO . . . -58.1 -42.59 86.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.412 ' O ' ' CB ' ' A' ' 25' ' ' SER . 3.9 m-85 -64.44 -35.39 80.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.543 HD23 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -54.98 -47.54 74.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.437 1.086 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.753 ' O ' HG22 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -52.96 -27.2 17.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.36 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.549 ' O ' HG23 ' A' ' 29' ' ' ILE . 4.1 t -54.91 -19.73 7.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -58.47 -27.88 64.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.364 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.753 HG22 ' O ' ' A' ' 24' ' ' GLU . 6.3 m -74.02 -35.18 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.66 -34.53 78.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.549 HG23 ' O ' ' A' ' 25' ' ' SER . 1.9 pt -79.74 -35.63 16.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.909 ' O ' HG23 ' A' ' 34' ' ' VAL . 8.9 t -54.1 -52.41 61.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.405 1.065 . . . . 0.0 110.027 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -35.64 75.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.52 -50.37 69.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.684 HD11 ' CD1' ' A' ' 49' ' ' ILE . 1.7 tm? -52.1 -42.61 63.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 30' ' ' SER . 12.0 t -58.52 -38.13 68.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.449 1.093 . . . . 0.0 109.347 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -63.65 -26.25 68.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.353 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -65.01 -31.22 72.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -41.35 -27.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.2 t -55.38 -38.71 69.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.042 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.89 ' O ' HD22 ' A' ' 42' ' ' LEU . 5.8 t30 -69.43 -30.79 68.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.1 p -58.26 -15.63 10.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 110.024 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.52 -39.55 91.43 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.89 HD22 ' O ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -53.86 -83.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -129.71 22.47 4.89 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.443 1.089 . . . . 0.0 110.967 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 65.63 44.73 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 0.794 . . . . 0.0 109.6 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.2 m -77.99 -19.61 13.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.349 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.477 HD22 HD11 ' A' ' 49' ' ' ILE . 0.6 OUTLIER -95.5 -32.24 12.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.365 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.61 -30.61 61.2 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 1.128 . . . . 0.0 108.307 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.519 ' CG2' ' N ' ' A' ' 49' ' ' ILE . 1.3 t -66.25 -52.28 49.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.423 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.964 HD12 ' N ' ' A' ' 50' ' ' LYS . 1.9 pp -71.74 -30.05 36.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 0.0 109.371 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.964 ' N ' HD12 ' A' ' 49' ' ' ILE . 1.4 mtpm? -49.51 -30.0 7.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.203 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -52.39 -30.49 29.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.71 -56.83 16.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.479 ' CZ ' ' HG ' ' A' ' 33' ' ' LEU . 86.6 mmt-85 -59.32 -41.77 89.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 110.263 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.23 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.689 ' HG2' ' HB2' ' A' ' 21' ' ' ALA . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 110.988 -0.428 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -85.75 -35.59 20.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.55 -31.79 68.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.689 ' HB2' ' HG2' ' A' ' 18' ' ' PRO . . . -58.51 -35.74 72.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.407 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.1 OUTLIER -74.26 -35.54 63.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.999 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -54.98 -47.6 74.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.999 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -52.79 -27.1 16.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.344 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 1.019 ' O ' HG23 ' A' ' 29' ' ' ILE . 7.9 t -55.13 -19.5 7.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.075 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.5 ' HG2' HD22 ' A' ' 23' ' ' LEU . 2.1 pp20? -58.16 -43.51 87.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.28 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.46 HG12 ' O ' ' A' ' 24' ' ' GLU . 1.3 p -74.33 -35.09 38.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.569 1.168 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.87 -38.2 88.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.247 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 1.019 HG23 ' O ' ' A' ' 25' ' ' SER . 6.3 pt -78.76 -33.64 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 1.02 ' O ' HG13 ' A' ' 34' ' ' VAL . 3.4 t -52.77 -52.95 54.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.396 1.06 . . . . 0.0 110.004 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.643 ' HA ' HG22 ' A' ' 34' ' ' VAL . 8.2 tt0 -60.83 -35.06 75.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.478 ' HA ' ' HG2' ' A' ' 35' ' ' GLN . 0.5 OUTLIER -73.53 -30.75 63.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.309 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.677 ' C ' HD13 ' A' ' 33' ' ' LEU . 2.1 tm? -83.43 -49.67 9.07 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.02 HG13 ' O ' ' A' ' 30' ' ' SER . 5.0 m -54.78 -41.78 58.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.478 ' HG2' ' HA ' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -57.8 -22.67 48.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 2.0 mtpt -64.55 -31.67 72.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.545 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.8 OUTLIER -42.05 -26.2 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.545 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 98.0 p -56.68 -36.56 69.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.023 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.523 ' HB3' HG11 ' A' ' 45' ' ' VAL . 2.0 m-20 -56.75 -28.64 61.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -57.01 -16.74 7.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.21 -35.2 77.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.41 1.069 . . . . 0.0 109.238 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.493 ' N ' HD12 ' A' ' 42' ' ' LEU . 4.7 mp -56.71 -85.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.54 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . -129.99 4.95 6.07 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.456 1.097 . . . . 0.0 111.066 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.54 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 1.5 t60 90.33 63.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 0.746 . . . . 0.0 109.567 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 48' ' ' THR . 12.5 p -86.55 -19.43 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 45' ' ' VAL . 3.0 t-20 -39.93 -30.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -51.67 -43.97 62.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 108.34 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.535 ' N ' ' O ' ' A' ' 45' ' ' VAL . 1.1 t -70.7 -34.66 72.19 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 0.0 110.352 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.629 HG22 ' HD2' ' A' ' 53' ' ' ARG . 1.3 mp -63.57 -32.41 56.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.446 ' HA ' ' CD ' ' A' ' 53' ' ' ARG . 22.9 mtpt -50.93 -34.39 28.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.865 ' HG2' HD22 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -64.96 -35.28 80.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.279 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.865 HD22 ' HG2' ' A' ' 51' ' ' GLU . 2.4 mm? -68.57 -58.48 4.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.629 ' HD2' HG22 ' A' ' 49' ' ' ILE . 1.1 ptm180 -65.49 -33.39 75.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.827 0 N-CA-C 111.038 -0.408 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -175.75 -37.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.448 ' CD ' ' H ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -75.06 -46.19 36.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.248 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.51 -34.29 66.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.408 ' O ' ' CB ' ' A' ' 25' ' ' SER . 7.2 m-85 -76.56 -34.73 58.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.624 HD23 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -55.19 -47.83 74.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.841 ' O ' HG22 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -53.25 -27.2 21.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 22' ' ' TYR . 2.4 t -54.88 -19.15 5.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.024 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 8.3 pt-20 -58.67 -45.24 89.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.231 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.841 HG22 ' O ' ' A' ' 24' ' ' GLU . 17.2 m -73.43 -34.18 42.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.07 -38.17 87.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.3 pt -78.42 -33.73 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.808 ' O ' HG13 ' A' ' 34' ' ' VAL . 11.4 m -54.13 -32.8 56.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.976 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.548 ' O ' HG22 ' A' ' 34' ' ' VAL . 14.1 tt0 -69.48 -49.16 57.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -72.4 -45.99 57.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.808 HD11 ' HB3' ' A' ' 53' ' ' ARG . 0.5 OUTLIER -47.41 -58.67 3.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.808 HG13 ' O ' ' A' ' 30' ' ' SER . 11.5 m -56.3 -37.67 51.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -62.6 -26.23 68.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.418 ' C ' ' N ' ' A' ' 38' ' ' SER . 7.8 mttt -60.9 -30.21 70.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -41.19 -27.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 110.998 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 36' ' ' LYS . 0.2 OUTLIER -55.6 -37.26 67.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.414 1.071 . . . . 0.0 109.987 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.76 ' HB3' HG13 ' A' ' 45' ' ' VAL . 16.3 m-20 -52.59 -30.7 32.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.492 ' N ' ' ND2' ' A' ' 46' ' ' ASN . 0.3 OUTLIER -59.12 -13.71 7.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.011 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.55 -36.89 74.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.694 HD12 ' HB2' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -97.94 -31.77 12.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.18 -0.76 89.56 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.552 1.158 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.694 ' HB2' HD12 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -107.82 60.99 0.61 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 0.774 . . . . 0.0 109.521 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.76 HG13 ' HB3' ' A' ' 39' ' ' ASN . 0.2 OUTLIER 170.44 -45.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.492 ' ND2' ' N ' ' A' ' 40' ' ' SER . 0.4 OUTLIER -45.53 -33.75 2.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.574 1.171 . . . . 0.0 109.32 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.543 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 1.2 m -57.1 -43.71 82.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 108.359 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 45' ' ' VAL . 0.9 OUTLIER -74.1 -34.24 63.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.392 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.667 HD12 HD12 ' A' ' 52' ' ' LEU . 2.9 mm -57.89 -32.89 44.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.382 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.543 ' CG ' ' O ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -50.69 -35.73 32.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.33 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -66.83 -36.96 83.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.3 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.667 HD12 HD12 ' A' ' 49' ' ' ILE . 49.4 mt -67.35 -56.81 8.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.808 ' HB3' HD11 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -66.85 -33.6 75.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 110.27 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 50' ' ' LYS . 34.2 ptt180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.438 ' HB2' ' HB2' ' A' ' 21' ' ' ALA . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.432 ' O ' ' HB3' ' A' ' 22' ' ' TYR . 0.7 OUTLIER -84.05 -54.42 4.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.421 1.076 . . . . 0.0 111.022 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.533 ' CD ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -56.63 -27.49 58.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.533 ' N ' ' CD ' ' A' ' 20' ' ' ARG . . . -58.37 -34.54 70.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.432 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -76.28 -36.46 58.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 111.024 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.973 HD23 ' N ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -55.82 -47.3 77.42 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.478 1.111 . . . . 0.0 109.225 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.973 ' N ' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -52.39 -27.25 14.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.29 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.571 ' O ' HG23 ' A' ' 29' ' ' ILE . 4.6 t -55.1 -19.17 6.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 110.047 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 6.5 pt-20 -58.28 -41.92 85.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 24' ' ' GLU . 2.3 p -74.01 -36.89 46.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.42 -37.48 78.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.571 HG23 ' O ' ' A' ' 25' ' ' SER . 8.9 pt -79.23 -33.8 15.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.854 ' O ' HG13 ' A' ' 34' ' ' VAL . 3.7 p -54.16 -45.61 72.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.996 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.645 ' O ' HG22 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -64.86 -35.65 81.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 110.345 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -73.98 -52.01 14.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.045 HD11 HG22 ' A' ' 49' ' ' ILE . 0.4 OUTLIER -49.79 -52.22 33.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.854 HG13 ' O ' ' A' ' 30' ' ' SER . 16.5 m -55.1 -35.02 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -69.19 -24.57 64.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 1.0 OUTLIER -60.92 -31.92 71.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 38' ' ' SER . 1.4 p90 -41.91 -26.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.162 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.447 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 2.9 m -55.14 -37.54 67.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 0.0 110.008 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.767 ' O ' HD12 ' A' ' 42' ' ' LEU . 4.8 m-20 -71.41 -29.81 65.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.7 p -57.68 -11.53 2.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.971 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.47 -34.58 64.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.258 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.767 HD12 ' O ' ' A' ' 39' ' ' ASN . 1.0 OUTLIER -41.62 -78.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.47 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . -149.34 18.28 1.17 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.485 1.116 . . . . 0.0 111.027 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.548 ' CD2' ' HB3' ' A' ' 47' ' ' CYS . 2.1 t60 86.22 105.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 109.602 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.539 HG13 ' N ' ' A' ' 46' ' ' ASN . 12.4 p -153.0 -54.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.539 ' N ' HG13 ' A' ' 45' ' ' VAL . 1.7 m-80 -68.04 -33.13 74.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.273 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.548 ' HB3' ' CD2' ' A' ' 44' ' ' HIS . 27.1 t -56.28 -29.68 61.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 108.279 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.603 HG22 HD12 ' A' ' 49' ' ' ILE . 0.8 OUTLIER -75.92 -34.24 59.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 110.398 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 1.045 HG22 HD11 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -72.65 -38.88 59.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.238 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.727 ' HA ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -51.47 -32.85 28.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.472 ' N ' ' HG3' ' A' ' 50' ' ' LYS . 3.4 mt-10 -55.21 -32.81 62.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.0 -54.48 46.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.468 ' CG ' ' HG ' ' A' ' 33' ' ' LEU . 22.4 mmm180 -73.6 -40.59 63.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 110.25 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.272 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo . . . . . 0 N--CA 1.454 -0.844 0 N-CA-C 110.974 -0.433 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -91.95 -44.48 8.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.445 ' HG2' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -59.15 -32.09 69.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.342 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.445 ' N ' ' HG2' ' A' ' 20' ' ' ARG . . . -58.92 -34.67 71.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -75.88 -36.27 59.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.019 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -55.83 -47.48 77.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 1.019 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -52.86 -27.41 18.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.262 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 t -55.18 -18.94 6.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.051 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.52 ' HG2' HD22 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -57.82 -36.7 72.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.671 HG22 ' O ' ' A' ' 24' ' ' GLU . 3.5 m -73.93 -36.39 45.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.92 -37.76 77.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.589 HD12 HH21 ' A' ' 53' ' ' ARG . 41.5 pt -79.5 -33.75 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 1.032 ' O ' HG23 ' A' ' 34' ' ' VAL . 17.8 m -54.1 -39.35 66.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -65.9 -48.43 71.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.08 -36.72 75.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.407 1.067 . . . . 0.0 110.37 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.037 ' O ' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -61.16 -41.77 97.37 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.032 HG23 ' O ' ' A' ' 30' ' ' SER . 82.1 t -56.49 -37.9 53.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -65.61 -26.15 67.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.246 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.85 ' HE3' HD23 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -60.18 -30.7 69.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -41.38 -25.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 111.013 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 36' ' ' LYS . 0.3 OUTLIER -54.92 -36.81 65.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.943 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.768 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.6 t-20 -67.32 -31.19 71.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.419 ' N ' ' HB2' ' A' ' 46' ' ' ASN . 1.4 t -58.14 -11.86 2.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.432 ' C ' ' N ' ' A' ' 43' ' ' GLY . . . -56.64 -32.77 65.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.768 HD12 ' O ' ' A' ' 39' ' ' ASN . 1.1 mt -42.7 -28.21 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.176 . . . . 0.0 109.243 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.586 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . 147.06 -28.36 1.55 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.557 1.161 . . . . 0.0 111.004 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.586 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER 155.69 118.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 109.576 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.539 HG13 ' N ' ' A' ' 46' ' ' ASN . 7.6 p -177.64 -55.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.418 1.073 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.539 ' N ' HG13 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -75.24 -33.95 61.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.529 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 17.7 t -57.49 -29.94 64.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.259 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.61 HG22 ' CD1' ' A' ' 49' ' ' ILE . 0.8 OUTLIER -75.58 -34.33 60.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.582 1.176 . . . . 0.0 110.395 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.61 ' CD1' HG22 ' A' ' 48' ' ' THR . 0.7 OUTLIER -75.86 -48.63 28.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.781 ' HA ' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -54.96 -31.65 60.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 47' ' ' CYS . 1.6 mm-40 -54.2 -32.42 55.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.1 tp -57.33 -53.68 55.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.669 ' CG ' HD12 ' A' ' 33' ' ' LEU . 10.3 mmt-85 -73.91 -34.7 64.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.403 ' HD2' ' HD3' ' A' ' 20' ' ' ARG . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.811 0 N-CA-C 110.948 -0.443 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -73.52 -35.24 65.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.544 ' CD ' ' H ' ' A' ' 20' ' ' ARG . 1.4 mpt_? -59.36 -42.14 90.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.313 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.49 -40.91 79.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.462 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -77.25 -35.33 55.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 111.025 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.749 HD23 ' N ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -53.86 -45.01 70.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.123 . . . . 0.0 109.38 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 1.014 ' O ' HG22 ' A' ' 27' ' ' VAL . 0.3 OUTLIER -52.1 -27.61 14.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.358 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.2 t -55.27 -19.11 7.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.966 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 1.5 pp20? -57.99 -27.49 63.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 1.014 HG22 ' O ' ' A' ' 24' ' ' GLU . 34.4 m -67.04 -34.93 73.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.62 -40.81 84.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 30' ' ' SER . 11.8 pt -79.42 -33.44 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 1.01 ' O ' HG23 ' A' ' 34' ' ' VAL . 22.3 t -53.51 -44.53 69.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.972 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 9.3 pt-20 -69.56 -40.53 76.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.256 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 35' ' ' GLN . 2.6 mm-40 -70.19 -50.81 36.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.598 1.186 . . . . 0.0 110.345 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.062 ' O ' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -47.37 -33.85 6.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.396 1.06 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.01 HG23 ' O ' ' A' ' 30' ' ' SER . 81.0 t -58.82 -38.36 72.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' GLU . 15.5 mt-30 -66.36 -23.46 66.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.432 ' C ' ' N ' ' A' ' 38' ' ' SER . 3.8 mmtp -66.84 -31.01 71.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.553 ' CD1' ' O ' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -42.29 -24.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 111.027 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.549 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -54.68 -38.59 67.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 110.019 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.928 ' O ' HD22 ' A' ' 42' ' ' LEU . 2.0 m-20 -54.7 -31.49 58.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.243 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.467 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 0.9 OUTLIER -60.18 -12.8 9.52 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.473 1.108 . . . . 0.0 109.977 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.8 -45.33 90.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.928 HD22 ' O ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -42.59 -86.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.475 ' O ' ' CG ' ' A' ' 44' ' ' HIS . . . -129.8 8.58 6.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.6 ' O ' ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 85.54 115.3 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.423 0.719 . . . . 0.0 109.613 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.609 HG13 ' H ' ' A' ' 46' ' ' ASN . 2.8 p -163.35 -59.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.08 . . . . 0.0 109.236 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.609 ' H ' HG13 ' A' ' 45' ' ' VAL . 1.5 m-80 -58.87 -33.05 70.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.483 ' HA ' ' CG ' ' A' ' 50' ' ' LYS . 28.9 p -56.07 -32.27 63.95 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 108.3 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.641 HG22 HD12 ' A' ' 49' ' ' ILE . 0.7 OUTLIER -76.04 -34.8 59.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.359 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.641 HD12 HG22 ' A' ' 48' ' ' THR . 1.2 mp -76.0 -48.13 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.78 ' HA ' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -55.62 -32.74 63.38 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.415 ' N ' ' HD2' ' A' ' 50' ' ' LYS . 3.4 pt-20 -54.13 -31.21 51.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.335 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 49.8 mt -57.74 -54.16 50.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.635 ' HB2' HD12 ' A' ' 33' ' ' LEU . 10.7 mmt-85 -73.54 -40.67 63.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.32 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 110.32 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.52 ' HG2' ' CD ' ' A' ' 20' ' ' ARG . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.836 0 N-CA-C 111.008 -0.42 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -170.68 -50.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.52 ' CD ' ' HG2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -65.41 -31.04 71.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.358 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.469 ' HB2' ' NH1' ' A' ' 20' ' ' ARG . . . -58.07 -34.19 69.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.355 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.401 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.3 OUTLIER -75.54 -35.79 60.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.97 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.997 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -55.58 -47.08 77.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.33 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.997 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -52.77 -27.06 16.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.25 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.503 ' O ' HG23 ' A' ' 29' ' ' ILE . 5.2 m -54.91 -19.47 6.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.488 ' OE2' HG22 ' A' ' 27' ' ' VAL . 1.9 pp20? -58.06 -27.52 63.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.488 HG22 ' OE2' ' A' ' 26' ' ' GLU . 21.9 t -73.69 -32.91 36.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.425 ' O ' ' CG ' ' A' ' 31' ' ' GLU . . . -70.09 -42.92 72.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.503 HG23 ' O ' ' A' ' 25' ' ' SER . 2.8 pt -68.34 -38.54 79.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.58 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -56.52 -49.59 74.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.026 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 28' ' ' ALA . 9.8 pt-20 -66.57 -35.25 79.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 1.6 mt-10 -71.67 -48.61 46.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 1.039 HD22 HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -44.58 -34.99 2.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 30' ' ' SER . 3.3 t -56.85 -45.31 83.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 3.0 pt20 -69.0 -26.64 65.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.469 ' CG ' ' HA ' ' A' ' 33' ' ' LEU . 1.5 mmmm -60.14 -30.09 69.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.573 ' CD1' ' HD3' ' A' ' 50' ' ' LYS . 3.2 t80 -42.48 -25.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 111.064 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -60.37 -37.44 80.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.942 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.8 ' O ' HD12 ' A' ' 42' ' ' LEU . 2.0 m-20 -55.09 -30.9 60.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.466 ' N ' ' HB2' ' A' ' 46' ' ' ASN . 0.4 OUTLIER -57.96 -11.86 2.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.955 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.45 -33.89 66.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.8 HD12 ' O ' ' A' ' 39' ' ' ASN . 0.9 OUTLIER -44.86 -79.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . -145.58 15.95 1.82 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.461 1.101 . . . . 0.0 111.038 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.501 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 0.7 OUTLIER 88.92 48.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.764 . . . . 0.0 109.612 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.525 HG23 ' N ' ' A' ' 46' ' ' ASN . 17.5 m -88.95 -53.04 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.705 ' OD1' HD11 ' A' ' 49' ' ' ILE . 0.4 OUTLIER -44.36 -27.08 0.39 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.59 1.181 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.437 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -49.45 -30.54 8.25 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.442 1.089 . . . . 0.0 108.233 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.488 HG23 HG23 ' A' ' 49' ' ' ILE . 9.4 t -67.28 -51.74 49.14 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.537 1.148 . . . . 0.0 110.412 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.928 HD12 ' N ' ' A' ' 50' ' ' LYS . 1.8 pp -75.68 -26.65 18.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.348 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.928 ' N ' HD12 ' A' ' 49' ' ' ILE . 6.0 mmmt -46.24 -30.58 2.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.419 1.074 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.43 -30.07 27.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.358 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 1.039 HD23 HD22 ' A' ' 33' ' ' LEU . 5.5 tp -57.99 -50.1 74.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.618 ' HG3' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -53.7 -45.68 70.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 110.257 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.701 ' HD2' ' HB2' ' A' ' 21' ' ' ALA . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.929 0 N-CA-C 111.093 -0.387 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -52.44 -32.2 38.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.584 1.178 . . . . 0.0 111.036 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.526 ' CD ' ' H ' ' A' ' 20' ' ' ARG . 2.5 mpt_? -71.16 -45.21 63.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.402 1.064 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.701 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . . . -57.13 -40.43 77.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.416 ' O ' ' CB ' ' A' ' 25' ' ' SER . 5.9 m-85 -77.79 -35.42 51.53 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.569 1.168 . . . . 0.0 111.019 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.935 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -54.54 -47.66 72.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.255 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 1.033 ' O ' HG22 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -52.62 -27.39 16.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.273 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 22' ' ' TYR . 6.0 t -55.24 -18.53 6.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -56.81 -27.7 60.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 1.033 HG22 ' O ' ' A' ' 24' ' ' GLU . 26.8 m -73.31 -33.87 42.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.53 -39.08 93.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.891 ' O ' HD22 ' A' ' 33' ' ' LEU . 6.9 pt -79.18 -36.22 18.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.698 ' O ' HG23 ' A' ' 34' ' ' VAL . 22.9 t -48.85 -41.51 33.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 110.016 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -72.69 -35.94 67.76 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' GLN . 1.0 OUTLIER -72.08 -51.06 23.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.373 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.891 HD22 ' O ' ' A' ' 29' ' ' ILE . 0.5 OUTLIER -44.93 -32.44 1.62 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 30' ' ' SER . 2.3 t -61.49 -44.11 98.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' GLU . 1.8 pt20 -66.34 -26.67 67.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.331 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.437 ' C ' ' N ' ' A' ' 38' ' ' SER . 18.2 mmtt -60.68 -29.82 69.54 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -41.72 -25.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.409 1.068 . . . . 0.0 110.998 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.437 ' N ' ' C ' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -54.17 -37.06 64.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.025 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -62.59 -30.01 71.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.476 ' HB3' ' CB ' ' A' ' 47' ' ' CYS . 0.7 OUTLIER -58.02 -15.81 10.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.966 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.464 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -59.32 -43.38 92.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.88 HD23 ' N ' ' A' ' 43' ' ' GLY . 1.0 OUTLIER -35.77 -65.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.88 ' N ' HD23 ' A' ' 42' ' ' LEU . . . -166.1 27.74 0.18 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.556 1.16 . . . . 0.0 111.058 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 40' ' ' SER . 0.0 OUTLIER 70.79 72.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 0.737 . . . . 0.0 109.557 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.52 ' O ' HG22 ' A' ' 48' ' ' THR . 0.0 OUTLIER -123.46 -42.12 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -80.03 -33.43 39.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.476 ' CB ' ' HB3' ' A' ' 40' ' ' SER . 4.9 t -55.8 -31.67 62.85 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.527 1.142 . . . . 0.0 108.275 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.53 HG23 HD12 ' A' ' 49' ' ' ILE . 1.1 t -60.4 -36.52 78.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 110.438 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.587 HG22 ' HE3' ' A' ' 50' ' ' LYS . 1.3 mp -76.35 -32.56 22.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.587 ' HE3' HG22 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -52.16 -33.15 39.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.071 . . . . 0.0 109.272 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.47 -33.37 59.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 0.0 110.258 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.9 mt -65.73 -45.56 82.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.485 ' HA ' ' CZ ' ' A' ' 53' ' ' ARG . 1.7 mmp_? -75.54 -36.25 60.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.203 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 110.969 -0.435 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -150.89 -44.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.22 -31.74 73.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.43 -44.65 89.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -62.36 -35.55 79.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.922 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.008 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -55.0 -47.48 74.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 1.008 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -52.77 -27.53 18.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 22' ' ' TYR . 7.3 t -55.2 -18.97 6.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.591 ' CD ' HG13 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -58.15 -38.81 77.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.99 HG22 ' O ' ' A' ' 24' ' ' GLU . 35.5 m -73.68 -32.76 36.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.442 ' O ' ' CG ' ' A' ' 31' ' ' GLU . . . -62.65 -37.57 86.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.621 1.201 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.431 HG13 ' N ' ' A' ' 30' ' ' SER . 9.4 pt -79.04 -33.99 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.783 ' O ' HG23 ' A' ' 34' ' ' VAL . 47.0 t -54.45 -44.94 72.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.442 ' CG ' ' O ' ' A' ' 28' ' ' ALA . 7.3 pt-20 -67.32 -39.5 85.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.437 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 37.8 mt-10 -70.33 -36.89 74.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.553 HD11 HG22 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -61.93 -34.99 77.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.376 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 30' ' ' SER . 57.9 t -71.26 -36.91 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -67.32 -25.92 66.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.435 ' HG3' ' ND2' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -63.58 -30.86 71.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.587 1.179 . . . . 0.0 109.266 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 34' ' ' VAL . 0.5 OUTLIER -45.18 -21.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.532 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 2.8 m -53.8 -38.55 64.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.997 ' O ' HD22 ' A' ' 42' ' ' LEU . 2.4 t-20 -59.7 -29.62 68.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.497 ' CB ' ' HB2' ' A' ' 47' ' ' CYS . 1.1 p -58.17 -12.09 3.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.033 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.8 -39.36 73.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.997 HD22 ' O ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -46.35 -86.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 109.233 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . -126.95 3.83 7.4 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 4.1 t60 87.36 103.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 109.602 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.437 ' O ' ' HB ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -151.04 -61.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.453 1.096 . . . . 0.0 109.35 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.486 ' ND2' ' CB ' ' A' ' 39' ' ' ASN . 7.0 m-20 -54.99 -32.71 61.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.363 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 49.7 t -56.42 -31.99 64.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 108.323 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.656 HG22 HD12 ' A' ' 49' ' ' ILE . 0.6 OUTLIER -75.62 -32.72 60.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.354 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.656 HD12 HG22 ' A' ' 48' ' ' THR . 0.7 OUTLIER -68.23 -40.8 83.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.355 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -51.71 -31.14 25.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' ' 50' ' ' LYS . 9.3 mt-10 -53.64 -34.09 57.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 5.1 mp -60.59 -53.01 62.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.478 ' HG3' ' CB ' ' A' ' 33' ' ' LEU . 9.6 mmm180 -73.47 -34.26 65.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.411 1.069 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.176 . . . . 0.0 110.291 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.784 ' HG2' ' HB2' ' A' ' 21' ' ' ALA . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.908 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -103.81 -35.23 8.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.54 ' CD ' ' H ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -75.29 -30.09 60.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.784 ' HB2' ' HG2' ' A' ' 18' ' ' PRO . . . -54.22 -33.62 58.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -75.5 -34.28 60.83 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.434 1.084 . . . . 0.0 110.987 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.019 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -58.19 -47.38 83.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 1.019 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -52.84 -27.14 16.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 110.272 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.697 ' O ' HG23 ' A' ' 29' ' ' ILE . 5.3 t -54.98 -19.46 6.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.964 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.544 ' HG2' HD22 ' A' ' 23' ' ' LEU . 2.0 pp20? -58.3 -43.96 88.35 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.151 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 24' ' ' GLU . 1.4 p -74.01 -38.72 49.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.341 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.464 ' O ' ' CG ' ' A' ' 31' ' ' GLU . . . -58.3 -38.35 76.89 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.697 HG23 ' O ' ' A' ' 25' ' ' SER . 10.9 pt -78.49 -34.4 18.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.347 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.797 ' O ' HG13 ' A' ' 34' ' ' VAL . 1.1 t -55.19 -44.78 75.63 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.597 1.185 . . . . 0.0 109.979 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.525 ' O ' HG22 ' A' ' 34' ' ' VAL . 7.5 pt-20 -66.91 -39.15 87.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.431 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -70.92 -36.88 72.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.71 HD21 ' HB3' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -64.1 -54.76 28.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.797 HG13 ' O ' ' A' ' 30' ' ' SER . 5.7 m -56.92 -37.51 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -70.7 -26.3 63.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.349 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 38' ' ' SER . 1.2 ptmt -71.91 -28.71 63.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.621 ' CD1' ' O ' ' A' ' 34' ' ' VAL . 0.6 OUTLIER -40.86 -25.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.563 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -53.65 -34.99 60.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 110.024 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.859 ' HB3' HG11 ' A' ' 45' ' ' VAL . 91.5 m-20 -48.16 -30.34 4.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.412 ' HB2' ' ND2' ' A' ' 46' ' ' ASN . 8.4 t -56.98 -18.45 13.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.024 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -60.94 -43.66 98.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.827 ' C ' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -38.02 -31.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.526 ' O ' ' CD2' ' A' ' 44' ' ' HIS . . . 137.74 -9.57 3.68 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.526 ' CD2' ' O ' ' A' ' 43' ' ' GLY . 2.9 m-70 167.32 105.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 109.623 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.859 HG11 ' HB3' ' A' ' 39' ' ' ASN . 21.2 t -152.09 -49.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.365 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.412 ' ND2' ' HB2' ' A' ' 40' ' ' SER . 1.9 m-20 -42.44 -32.37 0.53 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.522 ' O ' ' CD ' ' A' ' 50' ' ' LYS . 5.9 t -55.58 -46.32 77.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 108.309 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 45' ' ' VAL . 1.8 m -74.94 -32.71 61.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.383 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.859 HG22 ' HD2' ' A' ' 53' ' ' ARG . 2.0 mm -56.3 -31.4 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.522 ' CD ' ' O ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -49.06 -33.33 11.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.232 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.937 ' HG2' HD22 ' A' ' 52' ' ' LEU . 3.4 pt-20 -69.85 -37.54 76.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.937 HD22 ' HG2' ' A' ' 51' ' ' GLU . 2.4 mm? -67.6 -58.58 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.859 ' HD2' HG22 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -67.79 -35.99 79.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.42 1.075 . . . . 0.0 110.275 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 50' ' ' LYS . 29.4 ptt180 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.269 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.792 ' HD2' ' HB3' ' A' ' 21' ' ' ALA . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.828 0 N-CA-C 110.966 -0.436 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 179.3 -55.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.572 ' CD ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -73.5 -28.09 61.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.352 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.792 ' HB3' ' HD2' ' A' ' 18' ' ' PRO . . . -58.46 -32.82 69.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.423 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -69.58 -36.46 76.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.936 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.008 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -55.77 -47.41 77.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.377 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 1.008 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -52.67 -26.98 15.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.545 1.153 . . . . 0.0 110.332 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 22' ' ' TYR . 8.1 t -54.96 -19.28 6.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.571 ' HG2' HD22 ' A' ' 23' ' ' LEU . 1.3 pp20? -58.07 -40.44 81.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 110.258 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 24' ' ' GLU . 1.3 p -73.75 -40.99 54.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.45 -40.0 81.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.16 . . . . 0.0 109.334 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.2 pt -78.66 -33.99 17.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.4 m -54.41 -33.22 58.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.506 ' O ' HG23 ' A' ' 34' ' ' VAL . 16.0 tt0 -70.01 -49.69 48.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.267 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -70.95 -36.99 72.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.85 HD21 ' HG2' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -50.66 -22.73 2.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.563 1.165 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 31' ' ' GLU . 61.9 t -56.12 -38.16 52.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -58.62 -25.52 62.76 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 38' ' ' SER . 26.1 mmmt -60.25 -30.09 69.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.224 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -41.62 -26.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 36' ' ' LYS . 16.7 m -54.72 -37.24 65.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.061 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.936 ' HB3' HG23 ' A' ' 45' ' ' VAL . 32.6 m120 -48.5 -30.73 5.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.449 ' N ' ' OD1' ' A' ' 46' ' ' ASN . 0.3 OUTLIER -58.64 -13.84 6.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.084 . . . . 0.0 110.002 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.648 ' C ' HD13 ' A' ' 42' ' ' LEU . . . -58.99 -36.6 75.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.814 HD22 ' O ' ' A' ' 39' ' ' ASN . 0.0 OUTLIER -98.49 -18.24 18.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 66.37 54.65 22.26 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 -139.17 -102.14 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 0.0 109.607 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.936 HG23 ' HB3' ' A' ' 39' ' ' ASN . 2.5 m -41.42 -34.63 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 40' ' ' SER . 3.6 t30 -45.06 -33.94 2.33 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -56.34 -43.77 79.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.601 1.188 . . . . 0.0 108.287 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.546 HG22 ' CD1' ' A' ' 49' ' ' ILE . 0.6 OUTLIER -71.45 -35.23 70.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.356 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.546 ' CD1' HG22 ' A' ' 48' ' ' THR . 1.2 mp -58.92 -35.16 55.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -55.61 -36.36 66.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -34.12 70.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.466 ' HB2' HD11 ' A' ' 33' ' ' LEU . 25.1 mt -61.91 -56.64 17.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.85 ' HG2' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -77.45 -33.35 54.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.225 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 110.963 -0.437 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -116.87 -37.61 3.58 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.42 1.075 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.431 ' HG2' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -63.93 -31.47 72.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.332 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.431 ' N ' ' HG2' ' A' ' 20' ' ' ARG . . . -58.4 -34.42 70.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -75.17 -35.91 61.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.019 HD23 ' N ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -55.64 -47.23 76.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 1.031 ' O ' HG22 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -52.59 -27.74 18.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.6 t -55.39 -18.5 6.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.142 . . . . 0.0 109.949 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -57.62 -30.57 65.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.12 . . . . 0.0 110.317 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 1.031 HG22 ' O ' ' A' ' 24' ' ' GLU . 35.2 m -74.86 -33.21 29.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.02 -39.7 75.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.419 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 3.7 pt -79.83 -30.51 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.353 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.823 ' O ' HG22 ' A' ' 34' ' ' VAL . 0.8 OUTLIER -48.38 -44.78 35.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.978 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.457 ' HA ' ' CG2' ' A' ' 34' ' ' VAL . 3.4 pt-20 -71.86 -32.06 67.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 0.0 110.256 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 36' ' ' LYS . 2.7 mm-40 -70.57 -54.58 11.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.257 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.815 HD21 ' HA ' ' A' ' 30' ' ' SER . 1.7 pp -52.99 -56.79 13.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.823 HG22 ' O ' ' A' ' 30' ' ' SER . 30.4 m -54.96 -38.23 44.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.425 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 7.0 mm100 -71.25 -30.13 65.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.404 1.065 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.56 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -60.8 -29.42 69.44 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.429 1.08 . . . . 0.0 109.349 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -54.08 -18.17 3.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 111.027 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.568 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 1.6 m -58.32 -38.61 77.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.99 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.952 ' O ' HD22 ' A' ' 42' ' ' LEU . 4.0 m-80 -54.89 -30.06 57.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.1 t -58.03 -13.17 4.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 0.0 110.003 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.89 -35.72 73.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.952 HD22 ' O ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -56.59 -20.83 22.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.556 ' O ' ' CG ' ' A' ' 44' ' ' HIS . . . 133.04 -32.17 2.79 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.451 1.095 . . . . 0.0 111.05 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 43' ' ' GLY . 1.1 m170 159.12 122.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.618 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.498 ' O ' ' CG2' ' A' ' 48' ' ' THR . 8.6 p -177.93 -37.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.463 ' HB2' ' CB ' ' A' ' 39' ' ' ASN . 0.6 OUTLIER -102.3 -30.35 11.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.5 t -53.14 -30.79 38.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 108.256 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.929 HG23 HD13 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -59.84 -40.69 89.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.33 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.929 HD13 HG23 ' A' ' 48' ' ' THR . 1.2 mp -76.74 -33.11 21.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.233 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.71 -31.48 26.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.341 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.471 ' HG2' ' CD2' ' A' ' 52' ' ' LEU . 8.4 pt-20 -53.15 -33.13 51.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.274 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.471 ' CD2' ' HG2' ' A' ' 51' ' ' GLU . 2.4 mm? -59.11 -44.9 92.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.652 ' HD2' HD22 ' A' ' 33' ' ' LEU . 11.7 mmt180 -55.22 -38.5 68.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.128 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.415 1.072 . . . . 0.0 110.324 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.443 ' HD2' ' CB ' ' A' ' 21' ' ' ALA . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 110.943 -0.445 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -172.58 -55.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.564 ' CD ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -64.39 -27.5 69.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.564 ' N ' ' CD ' ' A' ' 20' ' ' ARG . . . -57.96 -33.15 68.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.443 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -74.94 -36.5 62.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.135 . . . . 0.0 110.999 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.911 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -57.49 -47.75 81.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.25 -179.915 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 1.026 ' O ' HG22 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -53.33 -27.07 21.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 t -54.98 -18.9 5.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.985 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.426 ' OE2' HD21 ' A' ' 23' ' ' LEU . 22.4 pt-20 -57.89 -27.97 63.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 1.026 HG22 ' O ' ' A' ' 24' ' ' GLU . 34.7 m -73.43 -32.93 38.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.447 ' O ' ' HG3' ' A' ' 31' ' ' GLU . . . -64.68 -35.76 82.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.471 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 6.7 pt -83.14 -35.89 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.419 ' N ' HG13 ' A' ' 29' ' ' ILE . 10.7 t -67.8 -46.15 72.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.949 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.764 ' O ' HG22 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -58.76 -46.55 87.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.26 -179.908 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.457 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 12.6 pt-20 -70.57 -35.8 73.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.99 HD13 ' O ' ' A' ' 33' ' ' LEU . 1.8 tm? -46.46 -25.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.764 HG22 ' O ' ' A' ' 31' ' ' GLU . 11.0 m -57.38 -37.67 58.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -58.32 -25.58 62.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.367 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.833 ' HG3' HD22 ' A' ' 33' ' ' LEU . 9.5 mmtt -59.58 -30.02 68.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.238 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -41.41 -25.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.437 ' N ' ' C ' ' A' ' 36' ' ' LYS . 1.6 m -54.64 -36.51 64.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.098 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.916 ' O ' HD22 ' A' ' 42' ' ' LEU . 7.6 m-20 -48.4 -30.22 4.8 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.523 ' N ' ' ND2' ' A' ' 46' ' ' ASN . 30.4 t -58.75 -13.89 7.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.531 ' C ' HD13 ' A' ' 42' ' ' LEU . . . -59.21 -37.25 77.01 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.433 1.083 . . . . 0.0 109.336 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.916 HD22 ' O ' ' A' ' 39' ' ' ASN . 0.0 OUTLIER -88.29 -39.7 14.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.31 32.97 15.14 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.635 ' C ' HG12 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -156.65 65.01 0.53 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.55 0.794 . . . . 0.0 109.631 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.808 HG13 ' HB3' ' A' ' 39' ' ' ASN . 0.2 OUTLIER 173.83 -44.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.234 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.523 ' ND2' ' N ' ' A' ' 40' ' ' SER . 0.3 OUTLIER -45.4 -33.81 2.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.3 t -54.92 -41.87 71.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 108.331 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.571 HG22 ' O ' ' A' ' 45' ' ' VAL . 1.2 t -72.52 -34.24 67.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 110.453 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.72 HG23 HD11 ' A' ' 33' ' ' LEU . 1.2 mp -57.64 -33.98 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 54' ' ' ARG . 3.2 mmtm -52.79 -35.74 57.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.39 -34.05 72.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.418 1.074 . . . . 0.0 110.256 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.545 ' CD1' HD21 ' A' ' 33' ' ' LEU . 28.9 mt -65.66 -57.05 9.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -72.62 -33.54 66.74 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.558 1.161 . . . . 0.0 110.292 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 110.269 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.881 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -173.23 -43.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 111.044 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.546 ' CD ' ' H ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -76.95 -31.61 56.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.38 -30.74 52.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.108 . . . . 0.0 109.254 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -66.77 -30.46 70.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 111.049 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.87 HD12 ' C ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -52.86 -40.77 63.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.692 ' N ' HD12 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -53.57 -26.93 23.64 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 62.2 m -54.09 -19.58 5.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.056 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.422 ' O ' HG12 ' A' ' 29' ' ' ILE . 14.7 pt-20 -58.67 -27.53 64.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 110.304 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.567 HG13 ' O ' ' A' ' 24' ' ' GLU . 1.9 m -74.32 -41.1 50.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.95 -36.58 72.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.447 HG13 ' N ' ' A' ' 30' ' ' SER . 3.2 pt -79.22 -34.21 16.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.511 ' O ' HG23 ' A' ' 34' ' ' VAL . 4.4 m -54.88 -33.3 61.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -69.28 -48.25 62.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.373 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 35' ' ' GLN . 1.8 mt-10 -71.21 -37.95 72.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.543 HD21 ' N ' ' A' ' 53' ' ' ARG . 15.5 tp -47.01 -28.02 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 30' ' ' SER . 2.8 t -72.24 -47.78 51.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -58.8 -21.92 57.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.738 ' CB ' HG21 ' A' ' 49' ' ' ILE . 8.1 mmtt -57.79 -30.38 65.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.479 ' HB3' ' O ' ' A' ' 34' ' ' VAL . 3.8 p90 -41.08 -26.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -54.61 -35.32 63.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.123 . . . . 0.0 109.937 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.479 ' CG ' HG21 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -47.33 -29.67 2.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 109.241 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.486 ' CA ' ' HB3' ' A' ' 46' ' ' ASN . 0.6 OUTLIER -56.4 -16.56 5.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.031 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.72 -35.92 79.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.108 . . . . 0.0 109.224 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.495 HD22 ' C ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -59.61 -48.74 80.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.231 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 125.09 -0.25 8.25 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.462 1.102 . . . . 0.0 111.016 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.711 ' C ' HG12 ' A' ' 45' ' ' VAL . 1.3 t-160 -177.18 108.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 109.58 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.711 HG12 ' C ' ' A' ' 44' ' ' HIS . 0.9 OUTLIER 161.76 -43.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.486 ' HB3' ' CA ' ' A' ' 40' ' ' SER . 2.5 p-10 -56.52 -39.33 73.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.35 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.478 ' HA ' ' CG ' ' A' ' 50' ' ' LYS . 0.5 OUTLIER -57.01 -32.63 66.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 108.252 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.713 HG22 HD13 ' A' ' 49' ' ' ILE . 0.9 OUTLIER -77.25 -34.38 55.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.417 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.738 HG21 ' CB ' ' A' ' 36' ' ' LYS . 6.0 mm -76.11 -48.35 28.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.359 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.478 ' CG ' ' HA ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -53.18 -31.33 42.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.898 ' HG3' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -60.56 -32.87 71.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.393 1.058 . . . . 0.0 110.266 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.898 HD22 ' HG3' ' A' ' 51' ' ' GLU . 2.7 mm? -68.15 -59.78 2.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.543 ' N ' HD21 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -65.58 -33.2 75.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.509 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.044 -0.406 . . . . 0.0 111.044 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -138.56 -55.28 0.62 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 0.0 110.948 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.58 ' CD ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -73.83 -27.95 61.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 110.291 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.58 ' N ' ' CD ' ' A' ' 20' ' ' ARG . . . -58.16 -32.92 68.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -73.43 -36.61 65.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.989 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -55.65 -46.19 77.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.596 1.185 . . . . 0.0 109.326 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.989 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -52.47 -26.98 14.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.611 ' O ' HG23 ' A' ' 29' ' ' ILE . 15.2 m -55.03 -19.87 8.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.982 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.528 ' HG2' HD22 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -58.56 -27.96 65.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.8 t -73.87 -33.84 38.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.55 -49.07 51.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.611 HG23 ' O ' ' A' ' 25' ' ' SER . 3.3 pt -58.98 -34.09 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.758 ' O ' HG23 ' A' ' 34' ' ' VAL . 41.3 t -60.69 -51.47 69.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.017 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 10.7 pt-20 -71.0 -38.84 72.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' GLN . 1.7 mt-10 -71.43 -50.89 27.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.878 HD13 ' O ' ' A' ' 33' ' ' LEU . 2.0 tm? -45.67 -25.89 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 30' ' ' SER . 11.4 t -63.39 -44.13 98.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.26 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 32' ' ' GLU . 1.2 pp0? -68.78 -25.99 64.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.426 ' C ' ' N ' ' A' ' 38' ' ' SER . 15.2 mttt -64.59 -30.77 71.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.55 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.7 OUTLIER -42.44 -25.58 0.08 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.446 1.091 . . . . 0.0 111.061 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.55 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -54.94 -38.44 67.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 110.012 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.922 ' O ' HD22 ' A' ' 42' ' ' LEU . 1.2 t-20 -59.72 -29.52 68.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 p -57.52 -15.16 6.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 109.961 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.74 -36.86 77.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.255 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.922 HD22 ' O ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -55.21 -83.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.68 21.74 3.74 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 28.4 m80 66.05 68.73 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 0.79 . . . . 0.0 109.599 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.04 -17.69 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -100.98 -32.6 10.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.2 m -55.49 -31.75 62.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 108.296 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.718 HG23 HD13 ' A' ' 49' ' ' ILE . 0.8 OUTLIER -60.72 -35.18 75.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.392 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.718 HD13 HG23 ' A' ' 48' ' ' THR . 7.2 mm -76.35 -34.66 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.464 ' HD2' ' CD1' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -53.52 -33.59 55.05 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.507 ' HG2' HD12 ' A' ' 52' ' ' LEU . 4.1 pt-20 -55.64 -35.35 65.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 110.349 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.507 HD12 ' HG2' ' A' ' 51' ' ' GLU . 2.8 mp -67.35 -51.48 51.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.5 ' HG3' HD12 ' A' ' 33' ' ' LEU . 10.0 mmm180 -67.03 -33.61 75.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.269 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.366 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.458 ' O ' ' C ' ' A' ' 2' ' ' ILE . 1.3 ptt85 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.539 HD13 ' H ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -36.42 -44.66 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.874 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.7 OUTLIER 68.63 -58.56 0.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.7 -45.04 95.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -96.9 53.75 1.4 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.433 1.083 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.874 HG13 ' O ' ' A' ' 3' ' ' TYR . 5.0 m -77.6 -169.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 109.351 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.944 ' O ' HD12 ' A' ' 10' ' ' ILE . 37.3 pt -74.6 -49.1 32.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.596 ' HG2' HG23 ' A' ' 6' ' ' VAL . 2.6 pt20 -57.03 -25.78 59.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.489 ' O ' ' CD ' ' A' ' 12' ' ' LYS . . . -49.02 -25.35 1.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.944 HD12 ' O ' ' A' ' 7' ' ' ILE . 1.7 mp -59.37 -28.54 39.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.088 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 14' ' ' ASP . 0.7 OUTLIER -48.16 -23.7 0.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 110.36 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.489 ' CD ' ' O ' ' A' ' 9' ' ' ALA . 1.5 ptmt -49.07 -31.92 8.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.247 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.0 p -62.3 -31.94 72.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.037 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 11' ' ' GLN . 2.0 t70 -73.83 -29.85 62.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -72.77 -5.89 41.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.232 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 43.53 68.76 0.77 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.533 1.146 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -42.1 154.14 0.27 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.489 0.758 . . . . 0.0 109.607 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -84.75 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.529 1.805 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 t80 179.7 -48.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.075 . . . . 0.0 110.967 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.437 ' HG2' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -64.48 -31.25 72.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.437 ' N ' ' HG2' ' A' ' 20' ' ' ARG . . . -58.16 -34.46 70.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -74.99 -36.15 62.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.017 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -57.35 -47.29 81.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.342 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 1.017 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -52.87 -26.99 16.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.406 1.066 . . . . 0.0 110.314 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.601 ' O ' HG23 ' A' ' 29' ' ' ILE . 3.1 t -54.91 -19.17 6.04 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.474 1.109 . . . . 0.0 109.956 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.405 ' O ' HG12 ' A' ' 29' ' ' ILE . 25.5 pt-20 -57.87 -27.98 63.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.03 -33.97 37.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.569 1.168 . . . . 0.0 109.35 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.48 -49.26 50.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.601 HG23 ' O ' ' A' ' 25' ' ' SER . 3.1 pt -58.42 -39.55 75.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.768 ' O ' HG23 ' A' ' 34' ' ' VAL . 68.2 m -54.68 -40.45 69.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.44 1.087 . . . . 0.0 109.98 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.479 ' OE1' ' CA ' ' A' ' 31' ' ' GLU . 2.0 tp10 -69.22 -41.85 76.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 2.0 tt0 -69.69 -44.0 71.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.246 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.908 HD23 ' HG2' ' A' ' 53' ' ' ARG . 2.6 tp -46.06 -49.34 16.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 30' ' ' SER . 3.4 t -62.44 -35.4 69.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 32' ' ' GLU . 12.2 mt-30 -70.91 -24.14 62.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 44.1 mmtt -58.81 -28.91 66.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.455 ' HB3' ' O ' ' A' ' 34' ' ' VAL . 3.4 p90 -40.33 -27.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 110.997 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' LYS . 0.3 OUTLIER -54.57 -38.68 66.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.984 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.787 ' O ' HD22 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -64.58 -30.78 71.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.358 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.475 ' CB ' ' HB2' ' A' ' 47' ' ' CYS . 0.9 OUTLIER -59.09 -13.04 5.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.17 -34.72 70.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.787 HD22 ' O ' ' A' ' 39' ' ' ASN . 0.1 OUTLIER -80.45 53.11 1.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.616 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . 87.37 -57.53 4.5 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.43 1.081 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.654 ' C ' HG22 ' A' ' 45' ' ' VAL . 0.9 OUTLIER 153.18 133.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 0.739 . . . . 0.0 109.556 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.654 HG22 ' C ' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -168.06 -60.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.429 ' ND2' ' HB2' ' A' ' 39' ' ' ASN . 9.2 m-20 -71.39 -31.95 67.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.475 ' HB2' ' CB ' ' A' ' 40' ' ' SER . 12.2 t -55.32 -30.81 60.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.107 . . . . 0.0 108.273 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.483 HG22 HD13 ' A' ' 49' ' ' ILE . 0.7 OUTLIER -59.9 -34.58 73.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.483 HD13 HG22 ' A' ' 48' ' ' THR . 1.3 mp -73.4 -33.31 39.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -52.25 -31.82 34.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -52.63 -30.13 29.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.6 mt -57.22 -54.26 48.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.908 ' HG2' HD23 ' A' ' 33' ' ' LEU . 15.8 mmm180 -56.48 -38.62 71.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 110.326 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.501 ' C ' ' CD ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 1' ' ' ARG . 6.1 mt -40.2 -85.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.172 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 179.26 -35.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -69.26 -22.22 63.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 86.11 39.71 7.83 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.477 1.11 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.4 t -53.19 155.26 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.751 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.932 ' O ' HD12 ' A' ' 10' ' ' ILE . 41.4 pt -78.2 -48.6 22.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.572 1.17 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.464 ' N ' HG13 ' A' ' 7' ' ' ILE . 3.3 pt20 -59.13 -25.31 63.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.243 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.479 ' O ' ' CD ' ' A' ' 12' ' ' LYS . . . -50.5 -25.37 3.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.107 . . . . 0.0 109.336 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.932 HD12 ' O ' ' A' ' 7' ' ' ILE . 2.3 mp -63.15 -26.05 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -48.4 -23.59 0.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 110.215 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.479 ' CD ' ' O ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -49.09 -31.57 8.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.345 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.5 m -63.07 -30.31 71.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.981 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -73.93 -29.87 62.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.506 ' HB3' ' CE1' ' A' ' 17' ' ' HIS . 1.4 mm-40 -63.19 -51.56 65.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 110.357 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.39 -51.97 4.27 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.136 . . . . 0.0 110.968 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.506 ' CE1' ' HB3' ' A' ' 15' ' ' GLU . 75.2 m-70 62.34 153.65 0.11 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 0.765 . . . . 0.0 109.585 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -83.54 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.484 1.781 . . . . 0.0 110.962 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 t80 178.99 -49.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.439 ' HG2' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -62.61 -31.39 72.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.439 ' N ' ' HG2' ' A' ' 20' ' ' ARG . . . -58.22 -34.31 70.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -75.04 -35.98 61.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.415 1.072 . . . . 0.0 110.942 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.009 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -56.81 -47.51 80.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 1.009 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -52.92 -27.46 18.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.27 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 t -55.15 -19.0 6.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.521 ' HG2' HD22 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -57.99 -31.1 66.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 110.288 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.83 HG22 ' O ' ' A' ' 24' ' ' GLU . 11.5 m -73.84 -34.26 39.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.435 ' O ' ' HG2' ' A' ' 31' ' ' GLU . . . -63.2 -36.0 82.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.518 ' O ' ' CB ' ' A' ' 33' ' ' LEU . 5.2 pt -81.48 -34.58 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.491 ' O ' HG23 ' A' ' 34' ' ' VAL . 53.2 m -65.4 -46.49 79.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.987 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 28' ' ' ALA . 12.5 pt-20 -60.69 -49.44 77.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.546 1.154 . . . . 0.0 110.25 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 29' ' ' ILE . 8.6 pt-20 -71.25 -36.65 71.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.045 HD11 HG23 ' A' ' 49' ' ' ILE . 2.6 tp -53.1 -22.85 6.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 30' ' ' SER . 79.1 t -56.83 -37.1 52.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.414 1.071 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -61.67 -22.33 65.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 110.272 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.929 ' HG3' HD12 ' A' ' 33' ' ' LEU . 2.2 mmpt? -58.36 -30.61 66.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.485 ' HB3' ' O ' ' A' ' 34' ' ' VAL . 3.3 p90 -40.67 -27.07 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -55.21 -37.89 67.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.998 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.536 ' HB3' HG13 ' A' ' 45' ' ' VAL . 11.5 m-20 -63.55 -29.95 71.14 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.413 1.07 . . . . 0.0 109.23 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.411 ' N ' ' HB2' ' A' ' 46' ' ' ASN . 0.4 OUTLIER -57.36 -10.19 1.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.059 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.411 ' H ' ' C ' ' A' ' 39' ' ' ASN . . . -54.35 -33.96 60.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.834 HD13 ' HB2' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -96.07 -24.77 16.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.732 ' N ' HD12 ' A' ' 42' ' ' LEU . . . 71.39 54.81 8.32 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.834 ' HB2' HD13 ' A' ' 42' ' ' LEU . 80.8 m-70 -138.41 -91.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 0.743 . . . . 0.0 109.561 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.536 HG13 ' HB3' ' A' ' 39' ' ' ASN . 3.5 p -50.63 -47.98 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.411 ' HB2' ' N ' ' A' ' 40' ' ' SER . 5.5 t30 -47.35 -32.75 5.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.524 ' O ' ' CD ' ' A' ' 50' ' ' LYS . 1.0 OUTLIER -55.95 -37.13 68.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 108.288 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 45' ' ' VAL . 1.0 OUTLIER -73.96 -33.32 63.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.399 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 1.045 HG23 HD11 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -56.45 -34.15 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.249 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.524 ' CD ' ' O ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -50.93 -34.18 27.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -70.18 -34.46 72.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.844 HD12 HD22 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -67.12 -57.86 5.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.42 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.472 ' HD2' HG22 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -71.46 -33.39 69.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.561 1.163 . . . . 0.0 110.209 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.549 ' O ' ' CD2' ' A' ' 3' ' ' TYR . 3.2 pt -71.53 -52.03 28.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.549 ' CD2' ' O ' ' A' ' 2' ' ' ILE . 0.3 OUTLIER 166.22 -29.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.074 . . . . 0.0 111.02 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -110.46 -22.18 11.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.52 74.57 2.34 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.7 HG22 ' H ' ' A' ' 7' ' ' ILE . 2.8 p -131.25 -152.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 0.794 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.858 ' O ' HD12 ' A' ' 10' ' ' ILE . 5.3 mt -46.33 -35.15 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.458 ' C ' ' N ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -52.78 -23.72 7.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.437 ' N ' ' HG3' ' A' ' 8' ' ' GLN . . . -41.44 -28.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.233 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.858 HD12 ' O ' ' A' ' 7' ' ' ILE . 0.9 OUTLIER -47.97 -23.2 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -44.64 -28.0 0.55 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.364 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -48.08 -32.06 6.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.359 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.426 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 19.1 m -65.54 -32.09 73.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.066 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 11' ' ' GLN . 0.3 OUTLIER -70.49 -29.4 65.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.162 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.402 ' O ' ' CD ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -75.16 -1.95 25.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.274 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.52 ' O ' ' CB ' ' A' ' 17' ' ' HIS . . . -51.55 -96.69 0.01 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.52 ' CB ' ' O ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER 160.69 -51.4 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 0.0 109.637 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 18.4 Cg_endo -74.95 164.92 32.46 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.385 1.729 . . . . 0.0 111.039 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.88 -34.3 3.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.566 ' CD ' ' H ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -75.5 -29.43 59.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.252 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.5 -32.64 51.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -60.9 -34.73 75.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.988 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -64.9 -47.54 77.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.988 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -52.81 -27.07 16.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.539 ' O ' HG23 ' A' ' 29' ' ' ILE . 10.4 m -54.99 -19.63 7.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.519 ' HG2' HD22 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -58.39 -42.85 88.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.213 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' ' 24' ' ' GLU . 1.7 p -74.13 -37.22 46.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.92 -38.35 82.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.352 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.539 HG23 ' O ' ' A' ' 25' ' ' SER . 24.8 pt -78.88 -33.27 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.964 ' O ' HG23 ' A' ' 34' ' ' VAL . 15.1 t -53.63 -45.45 70.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 110.014 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -70.32 -38.55 74.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -70.02 -51.19 34.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.078 . . . . 0.0 110.29 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.904 HD12 HG22 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -47.01 -34.78 5.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.382 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.964 HG23 ' O ' ' A' ' 30' ' ' SER . 45.3 t -65.64 -39.47 85.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' GLU . 6.2 mm100 -69.54 -23.97 63.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.416 ' C ' ' N ' ' A' ' 38' ' ' SER . 8.6 mmtt -59.25 -31.28 68.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.421 ' HB3' ' O ' ' A' ' 34' ' ' VAL . 2.0 p90 -41.82 -26.82 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.416 ' N ' ' C ' ' A' ' 36' ' ' LYS . 68.5 p -58.27 -40.58 82.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 110.028 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.949 ' O ' HD22 ' A' ' 42' ' ' LEU . 4.4 m-20 -76.29 -31.24 58.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.233 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.2 p -60.09 -12.63 8.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 109.985 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -58.52 -44.36 89.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.343 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.949 HD22 ' O ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -39.57 -88.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -128.56 10.12 6.44 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.523 1.14 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.587 ' CE1' ' SG ' ' A' ' 47' ' ' CYS . 0.2 OUTLIER 79.65 102.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 0.739 . . . . 0.0 109.615 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.481 ' O ' HG22 ' A' ' 48' ' ' THR . 0.0 OUTLIER -141.45 -46.81 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.168 . . . . 0.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.42 ' ND2' ' HB2' ' A' ' 39' ' ' ASN . 38.6 m-80 -75.2 -32.74 61.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.132 . . . . 0.0 109.241 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.587 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 0.9 OUTLIER -55.49 -31.03 61.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 108.321 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.694 HG23 HD13 ' A' ' 49' ' ' ILE . 0.9 OUTLIER -60.45 -34.86 74.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.334 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.904 HG22 HD12 ' A' ' 33' ' ' LEU . 6.2 mm -75.82 -34.31 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 109.321 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.637 ' HA ' HD21 ' A' ' 33' ' ' LEU . 1.5 mtpm? -53.58 -31.62 47.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.663 ' HG2' HD22 ' A' ' 52' ' ' LEU . 7.6 pt-20 -53.6 -33.88 56.46 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.663 HD22 ' HG2' ' A' ' 51' ' ' GLU . 4.2 mm? -59.63 -49.51 77.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.378 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.786 ' HG3' HD22 ' A' ' 33' ' ' LEU . 16.1 mmm180 -70.5 -42.92 70.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.395 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.706 HD12 ' CG ' ' A' ' 4' ' ' LYS . 30.4 pt -66.49 -32.0 56.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.54 ' CB ' ' O ' ' A' ' 2' ' ' ILE . 0.1 OUTLIER 75.73 -51.46 0.63 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.706 ' CG ' HD12 ' A' ' 2' ' ' ILE . 0.3 OUTLIER -37.2 -58.28 0.82 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -171.42 64.17 0.15 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.453 1.096 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.517 HG22 HG12 ' A' ' 2' ' ' ILE . 2.5 t -48.6 168.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.491 0.759 . . . . 0.0 109.218 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.658 ' O ' HD12 ' A' ' 10' ' ' ILE . 44.0 pt -78.66 -47.74 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.478 ' OE1' HG11 ' A' ' 6' ' ' VAL . 2.6 pt20 -63.74 -26.02 68.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' A' ' 12' ' ' LYS . . . -42.27 -28.45 0.2 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.658 HD12 ' O ' ' A' ' 7' ' ' ILE . 0.7 OUTLIER -48.52 -23.16 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 14' ' ' ASP . 4.8 pt20 -45.19 -28.28 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.429 ' HD3' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -46.36 -31.98 2.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.429 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -59.17 -36.65 75.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.979 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 11' ' ' GLN . 25.6 t0 -61.28 -29.76 70.06 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.387 1.055 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -76.89 -6.85 54.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -168.11 88.89 0.1 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.441 1.088 . . . . 0.0 111.05 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -159.9 156.62 24.48 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.77 . . . . 0.0 109.639 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.412 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 18.5 Cg_endo -75.0 179.73 5.8 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.549 1.815 . . . . 0.0 111.03 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -119.34 -35.65 3.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.749 ' NH1' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -71.86 -32.19 67.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.339 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.412 ' HB3' ' HG2' ' A' ' 18' ' ' PRO . . . -58.56 -35.76 72.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.411 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.1 OUTLIER -70.88 -35.43 72.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 110.998 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.749 HD13 ' NH1' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -54.85 -47.42 74.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.729 ' O ' HG22 ' A' ' 27' ' ' VAL . 0.3 OUTLIER -52.91 -27.37 18.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.357 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.585 ' O ' HG23 ' A' ' 29' ' ' ILE . 1.6 t -55.46 -18.89 7.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.406 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 10.6 pt-20 -58.17 -46.2 86.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.729 HG22 ' O ' ' A' ' 24' ' ' GLU . 5.9 m -74.18 -34.69 38.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.46 -38.86 91.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.585 HG23 ' O ' ' A' ' 25' ' ' SER . 31.1 pt -78.22 -34.0 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 t -56.23 -33.72 65.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.004 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.782 ' O ' HG22 ' A' ' 34' ' ' VAL . 6.7 tp10 -69.23 -45.38 69.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.127 . . . . 0.0 110.268 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 35' ' ' GLN . 8.7 mt-10 -71.96 -36.09 69.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.664 ' CD2' HD22 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -47.26 -31.14 3.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.566 1.166 . . . . 0.0 109.397 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.782 HG22 ' O ' ' A' ' 31' ' ' GLU . 6.4 m -52.37 -37.41 23.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.421 ' HB2' ' O ' ' A' ' 32' ' ' GLU . 35.2 mt-30 -57.49 -25.96 60.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.412 1.07 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 38' ' ' SER . 14.4 mttt -61.69 -25.53 67.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -38.89 -27.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 36' ' ' LYS . 0.3 OUTLIER -53.71 -37.67 63.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.024 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.768 ' HB3' HG23 ' A' ' 45' ' ' VAL . 65.7 m-20 -52.62 -29.13 24.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.418 ' N ' ' HB2' ' A' ' 46' ' ' ASN . 3.0 t -56.92 -14.6 3.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.78 -35.55 72.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.912 HD12 ' HB2' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -96.38 -27.52 14.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.264 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.64 37.9 77.52 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.57 1.169 . . . . 0.0 110.935 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.912 ' HB2' HD12 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -119.88 -80.12 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.62 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.768 HG23 ' HB3' ' A' ' 39' ' ' ASN . 4.1 m -63.91 -37.47 79.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.418 ' HB2' ' N ' ' A' ' 40' ' ' SER . 10.5 t-20 -43.95 -33.65 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -55.72 -41.24 73.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 0.0 108.262 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -75.5 -34.13 60.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.45 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.562 HG23 ' CD1' ' A' ' 33' ' ' LEU . 0.9 OUTLIER -57.66 -41.59 79.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -51.62 -35.29 41.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.075 . . . . 0.0 109.239 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.435 ' N ' ' HG3' ' A' ' 50' ' ' LYS . 23.7 mt-10 -68.55 -40.14 80.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 110.193 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.664 HD22 ' CD2' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -67.89 -47.49 68.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.236 -179.884 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.597 ' CD ' HD12 ' A' ' 33' ' ' LEU . 33.0 mmm-85 -54.55 -45.72 73.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.443 1.089 . . . . 0.0 110.317 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.462 ' O ' ' C ' ' A' ' 2' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.545 HD12 ' H ' ' A' ' 5' ' ' GLY . 1.1 pt 36.09 -145.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.689 ' O ' HG12 ' A' ' 6' ' ' VAL . 0.4 OUTLIER 166.9 -35.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.0 -34.43 9.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.386 1.054 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.545 ' H ' HD12 ' A' ' 2' ' ' ILE . . . -88.45 33.21 4.19 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.557 1.161 . . . . 0.0 111.044 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.698 HG22 ' H ' ' A' ' 7' ' ' ILE . 1.9 p -114.29 -158.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.502 0.766 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.698 ' H ' HG22 ' A' ' 6' ' ' VAL . 27.2 pt -105.9 -46.95 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.465 ' C ' ' N ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -56.87 -24.44 51.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.23 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.477 ' O ' ' HG3' ' A' ' 12' ' ' LYS . . . -42.29 -26.5 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.416 1.073 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.465 ' N ' ' C ' ' A' ' 8' ' ' GLN . 27.4 pt -45.92 -23.01 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 14' ' ' ASP . 5.1 pt20 -44.22 -26.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.49 ' CD ' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -46.97 -30.27 2.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.572 1.17 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.49 ' N ' ' CD ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -59.59 -34.13 72.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.029 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -73.9 -29.63 62.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -73.06 -10.41 59.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.35 54.93 0.78 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.467 1.104 . . . . 0.0 111.031 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.47 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -64.37 -54.4 38.47 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.639 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.524 ' HG2' ' HB2' ' A' ' 21' ' ' ALA . 18.4 Cg_endo -75.02 150.73 38.49 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.511 1.795 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -65.47 -35.88 82.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 111.051 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.6 -31.73 72.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 110.238 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.524 ' HB2' ' HG2' ' A' ' 18' ' ' PRO . . . -58.16 -44.27 87.85 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.5 1.125 . . . . 0.0 109.216 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.42 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -62.62 -35.21 78.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 111.001 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.499 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -54.81 -47.73 73.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.48 ' N ' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -52.89 -27.22 17.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.593 ' O ' HG23 ' A' ' 29' ' ' ILE . 7.3 t -54.88 -19.83 7.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.117 . . . . 0.0 110.008 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -58.46 -27.99 64.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.0 t -73.8 -33.79 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.48 -48.82 53.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.593 HG23 ' O ' ' A' ' 25' ' ' SER . 3.0 pt -59.33 -39.67 79.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.455 ' O ' HG23 ' A' ' 34' ' ' VAL . 73.5 m -55.1 -43.55 74.14 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 110.019 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -69.32 -37.8 77.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 35' ' ' GLN . 71.0 mm-40 -70.73 -44.6 66.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.55 HD21 HG22 ' A' ' 49' ' ' ILE . 12.5 tp -47.19 -32.6 4.54 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' A' ' 37' ' ' TYR . 11.5 t -55.78 -35.96 41.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.5 ' CG ' ' O ' ' A' ' 32' ' ' GLU . 1.2 pp0? -62.03 -23.07 66.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.42 ' C ' ' N ' ' A' ' 38' ' ' SER . 30.7 mmtt -60.15 -32.29 70.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.474 ' HB3' ' O ' ' A' ' 34' ' ' VAL . 1.6 p90 -42.38 -25.58 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -54.69 -36.66 64.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 110.012 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.804 ' O ' HD22 ' A' ' 42' ' ' LEU . 8.1 m-80 -49.16 -30.14 6.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.75 -15.88 9.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 110.02 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.9 -36.33 83.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.804 HD22 ' O ' ' A' ' 39' ' ' ASN . 0.1 OUTLIER -75.72 -73.16 0.27 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -168.73 32.32 0.18 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 72.47 113.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 0.793 . . . . 0.0 109.566 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 45' ' ' VAL . 5.9 p -165.61 30.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.469 ' HB2' ' CB ' ' A' ' 39' ' ' ASN . 0.5 OUTLIER 179.79 -33.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.495 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 2.1 t -54.85 -28.71 51.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 108.31 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 1.025 HG23 HD13 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -70.92 -34.91 71.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.423 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 1.025 HD13 HG23 ' A' ' 48' ' ' THR . 0.9 OUTLIER -78.05 -48.14 23.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.514 ' HA ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -54.39 -34.61 61.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.414 ' OE1' ' HA ' ' A' ' 48' ' ' THR . 1.8 pt-20 -55.43 -32.35 62.65 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.526 1.142 . . . . 0.0 110.256 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.5 tp -58.88 -54.37 47.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.364 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.529 ' HG3' HD22 ' A' ' 33' ' ' LEU . 31.0 mmt180 -71.39 -33.62 69.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.344 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.434 ' HB2' HG22 ' A' ' 34' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.437 ' NH1' ' HB3' ' A' ' 1' ' ' ARG . 1.1 tmm_? . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.596 ' C ' HD12 ' A' ' 2' ' ' ILE . 2.4 pp -58.9 -178.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 109.309 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.416 ' N ' HD12 ' A' ' 2' ' ' ILE . 4.2 t80 -148.35 -44.4 0.15 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.471 1.107 . . . . 0.0 111.059 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -99.57 -24.8 14.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.807 ' O ' ' HB2' ' A' ' 9' ' ' ALA . . . 136.28 -42.23 1.34 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.58 1.175 . . . . 0.0 110.988 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.559 ' CG1' ' N ' ' A' ' 7' ' ' ILE . 1.7 t 71.39 167.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 0.0 109.251 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.768 ' O ' HD12 ' A' ' 10' ' ' ILE . 42.3 pt -80.38 -47.31 21.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.478 ' HG3' ' N ' ' A' ' 9' ' ' ALA . 0.6 OUTLIER -49.26 -25.0 2.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.807 ' HB2' ' O ' ' A' ' 5' ' ' GLY . . . -57.86 -27.9 63.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.08 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.768 HD12 ' O ' ' A' ' 7' ' ' ILE . 3.2 mp -69.77 -23.18 25.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.405 ' OE1' ' OE1' ' A' ' 8' ' ' GLN . 8.2 pt20 -47.34 -23.08 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.409 ' N ' ' C ' ' A' ' 10' ' ' ILE . 1.0 OUTLIER -47.15 -31.51 3.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.247 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.33 -34.58 72.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.028 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.461 ' O ' ' CD ' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -73.96 -29.87 62.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.701 ' CG ' ' HB1' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -76.17 -2.82 33.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.301 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -103.9 62.66 0.4 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.515 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -178.44 -59.41 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 109.581 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.547 ' HG2' ' HB2' ' A' ' 21' ' ' ALA . 18.2 Cg_endo -75.01 142.27 27.62 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -74.69 -35.45 62.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -31.68 72.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.107 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.701 ' HB1' ' CG ' ' A' ' 15' ' ' GLU . . . -58.1 -42.59 86.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.412 ' O ' ' CB ' ' A' ' 25' ' ' SER . 3.9 m-85 -64.44 -35.39 80.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.543 HD23 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -54.98 -47.54 74.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.437 1.086 . . . . 0.0 109.276 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.753 ' O ' HG22 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -52.96 -27.2 17.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.36 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.549 ' O ' HG23 ' A' ' 29' ' ' ILE . 4.1 t -54.91 -19.73 7.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -58.47 -27.88 64.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.364 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.753 HG22 ' O ' ' A' ' 24' ' ' GLU . 6.3 m -74.02 -35.18 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.66 -34.53 78.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.549 HG23 ' O ' ' A' ' 25' ' ' SER . 1.9 pt -79.74 -35.63 16.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.909 ' O ' HG23 ' A' ' 34' ' ' VAL . 8.9 t -54.1 -52.41 61.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.405 1.065 . . . . 0.0 110.027 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -35.64 75.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.52 -50.37 69.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.684 HD11 ' CD1' ' A' ' 49' ' ' ILE . 1.7 tm? -52.1 -42.61 63.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 30' ' ' SER . 12.0 t -58.52 -38.13 68.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.449 1.093 . . . . 0.0 109.347 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -63.65 -26.25 68.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.353 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -65.01 -31.22 72.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -41.35 -27.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.2 t -55.38 -38.71 69.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.042 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.89 ' O ' HD22 ' A' ' 42' ' ' LEU . 5.8 t30 -69.43 -30.79 68.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.1 p -58.26 -15.63 10.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 110.024 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.52 -39.55 91.43 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.89 HD22 ' O ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -53.86 -83.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -129.71 22.47 4.89 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.443 1.089 . . . . 0.0 110.967 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 65.63 44.73 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 0.794 . . . . 0.0 109.6 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.2 m -77.99 -19.61 13.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.349 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.477 HD22 HD11 ' A' ' 49' ' ' ILE . 0.6 OUTLIER -95.5 -32.24 12.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.365 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.61 -30.61 61.2 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 1.128 . . . . 0.0 108.307 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.519 ' CG2' ' N ' ' A' ' 49' ' ' ILE . 1.3 t -66.25 -52.28 49.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.423 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.964 HD12 ' N ' ' A' ' 50' ' ' LYS . 1.9 pp -71.74 -30.05 36.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 0.0 109.371 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.964 ' N ' HD12 ' A' ' 49' ' ' ILE . 1.4 mtpm? -49.51 -30.0 7.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.203 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -52.39 -30.49 29.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.71 -56.83 16.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.479 ' CZ ' ' HG ' ' A' ' 33' ' ' LEU . 86.6 mmt-85 -59.32 -41.77 89.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 110.263 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.23 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.633 ' C ' HD12 ' A' ' 2' ' ' ILE . 2.3 pp -53.93 163.91 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -152.28 20.86 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.66 10.41 7.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.253 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -64.19 -10.03 38.84 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.907 HG12 ' H ' ' A' ' 9' ' ' ALA . 38.2 t -85.18 136.73 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 0.742 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.621 ' O ' HD12 ' A' ' 10' ' ' ILE . 1.8 pt -81.35 -48.5 18.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.444 ' N ' ' CG1' ' A' ' 7' ' ' ILE . 1.9 mt-30 -56.57 -26.17 54.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.907 ' H ' HG12 ' A' ' 6' ' ' VAL . . . -41.93 -27.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.621 HD12 ' O ' ' A' ' 7' ' ' ILE . 2.6 mt -48.24 -23.15 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -46.78 -22.73 0.33 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.418 ' N ' ' C ' ' A' ' 10' ' ' ILE . 4.4 ptpt -45.58 -31.98 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 0.0 109.36 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 p -59.02 -36.02 74.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.986 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 11' ' ' GLN . 1.6 t0 -72.68 -29.83 63.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -64.76 -14.09 57.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.09 60.21 8.34 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -49.61 159.79 0.66 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.522 0.777 . . . . 0.0 109.592 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.689 ' HG2' ' HB2' ' A' ' 21' ' ' ALA . 18.0 Cg_endo -75.0 -179.31 4.87 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -85.75 -35.59 20.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.55 -31.79 68.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.689 ' HB2' ' HG2' ' A' ' 18' ' ' PRO . . . -58.51 -35.74 72.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.407 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.1 OUTLIER -74.26 -35.54 63.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.999 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -54.98 -47.6 74.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.999 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -52.79 -27.1 16.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.344 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 1.019 ' O ' HG23 ' A' ' 29' ' ' ILE . 7.9 t -55.13 -19.5 7.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.075 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.5 ' HG2' HD22 ' A' ' 23' ' ' LEU . 2.1 pp20? -58.16 -43.51 87.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.28 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.46 HG12 ' O ' ' A' ' 24' ' ' GLU . 1.3 p -74.33 -35.09 38.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.569 1.168 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.87 -38.2 88.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.247 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 1.019 HG23 ' O ' ' A' ' 25' ' ' SER . 6.3 pt -78.76 -33.64 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 1.02 ' O ' HG13 ' A' ' 34' ' ' VAL . 3.4 t -52.77 -52.95 54.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.396 1.06 . . . . 0.0 110.004 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.643 ' HA ' HG22 ' A' ' 34' ' ' VAL . 8.2 tt0 -60.83 -35.06 75.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.478 ' HA ' ' HG2' ' A' ' 35' ' ' GLN . 0.5 OUTLIER -73.53 -30.75 63.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.309 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.677 ' C ' HD13 ' A' ' 33' ' ' LEU . 2.1 tm? -83.43 -49.67 9.07 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.02 HG13 ' O ' ' A' ' 30' ' ' SER . 5.0 m -54.78 -41.78 58.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.478 ' HG2' ' HA ' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -57.8 -22.67 48.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 2.0 mtpt -64.55 -31.67 72.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.545 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.8 OUTLIER -42.05 -26.2 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.545 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 98.0 p -56.68 -36.56 69.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.023 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.523 ' HB3' HG11 ' A' ' 45' ' ' VAL . 2.0 m-20 -56.75 -28.64 61.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -57.01 -16.74 7.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.21 -35.2 77.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.41 1.069 . . . . 0.0 109.238 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.493 ' N ' HD12 ' A' ' 42' ' ' LEU . 4.7 mp -56.71 -85.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.54 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . -129.99 4.95 6.07 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.456 1.097 . . . . 0.0 111.066 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.54 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 1.5 t60 90.33 63.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 0.746 . . . . 0.0 109.567 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.535 ' O ' ' N ' ' A' ' 48' ' ' THR . 12.5 p -86.55 -19.43 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 45' ' ' VAL . 3.0 t-20 -39.93 -30.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -51.67 -43.97 62.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 108.34 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.535 ' N ' ' O ' ' A' ' 45' ' ' VAL . 1.1 t -70.7 -34.66 72.19 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 0.0 110.352 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.629 HG22 ' HD2' ' A' ' 53' ' ' ARG . 1.3 mp -63.57 -32.41 56.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.446 ' HA ' ' CD ' ' A' ' 53' ' ' ARG . 22.9 mtpt -50.93 -34.39 28.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.865 ' HG2' HD22 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -64.96 -35.28 80.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.279 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.865 HD22 ' HG2' ' A' ' 51' ' ' GLU . 2.4 mm? -68.57 -58.48 4.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.629 ' HD2' HG22 ' A' ' 49' ' ' ILE . 1.1 ptm180 -65.49 -33.39 75.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.769 ' HB ' HG22 ' A' ' 6' ' ' VAL . 3.9 mp -92.61 -70.65 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.508 ' CB ' ' O ' ' A' ' 2' ' ' ILE . 5.0 t80 73.82 -51.23 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.51 ' HG2' HG22 ' A' ' 2' ' ' ILE . 0.0 OUTLIER -37.44 -32.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.947 ' O ' ' HB2' ' A' ' 9' ' ' ALA . . . 154.37 -32.22 0.71 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.141 . . . . 0.0 111.029 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.769 HG22 ' HB ' ' A' ' 2' ' ' ILE . 1.8 t 75.52 -139.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 0.743 . . . . 0.0 109.281 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.719 ' O ' HD12 ' A' ' 10' ' ' ILE . 1.3 pt -104.06 -48.58 9.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -56.84 -26.23 57.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.947 ' HB2' ' O ' ' A' ' 5' ' ' GLY . . . -44.17 -30.31 0.76 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.719 HD12 ' O ' ' A' ' 7' ' ' ILE . 0.9 OUTLIER -48.76 -23.21 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -44.96 -27.79 0.58 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.256 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.431 ' HD3' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -46.92 -31.79 3.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.431 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 4.0 p -63.85 -35.7 81.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.602 1.189 . . . . 0.0 110.035 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 11' ' ' GLN . 86.1 m-20 -74.5 -37.26 63.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.76 -5.07 59.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.329 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.458 ' O ' ' CB ' ' A' ' 17' ' ' HIS . . . -52.17 -90.49 0.01 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.484 1.115 . . . . 0.0 111.073 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.458 ' CB ' ' O ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER 165.63 -56.65 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.432 0.724 . . . . 0.0 109.607 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.447 ' HD3' ' CB ' ' A' ' 17' ' ' HIS . 18.4 Cg_endo -74.94 -162.69 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.555 1.818 . . . . 0.0 111.038 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -175.75 -37.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.448 ' CD ' ' H ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -75.06 -46.19 36.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.248 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.51 -34.29 66.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.408 ' O ' ' CB ' ' A' ' 25' ' ' SER . 7.2 m-85 -76.56 -34.73 58.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.624 HD23 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -55.19 -47.83 74.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.841 ' O ' HG22 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -53.25 -27.2 21.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 22' ' ' TYR . 2.4 t -54.88 -19.15 5.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.024 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 8.3 pt-20 -58.67 -45.24 89.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.231 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.841 HG22 ' O ' ' A' ' 24' ' ' GLU . 17.2 m -73.43 -34.18 42.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.07 -38.17 87.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.3 pt -78.42 -33.73 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.808 ' O ' HG13 ' A' ' 34' ' ' VAL . 11.4 m -54.13 -32.8 56.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.976 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.548 ' O ' HG22 ' A' ' 34' ' ' VAL . 14.1 tt0 -69.48 -49.16 57.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -72.4 -45.99 57.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.808 HD11 ' HB3' ' A' ' 53' ' ' ARG . 0.5 OUTLIER -47.41 -58.67 3.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.808 HG13 ' O ' ' A' ' 30' ' ' SER . 11.5 m -56.3 -37.67 51.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -62.6 -26.23 68.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.418 ' C ' ' N ' ' A' ' 38' ' ' SER . 7.8 mttt -60.9 -30.21 70.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -41.19 -27.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 110.998 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 36' ' ' LYS . 0.2 OUTLIER -55.6 -37.26 67.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.414 1.071 . . . . 0.0 109.987 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.76 ' HB3' HG13 ' A' ' 45' ' ' VAL . 16.3 m-20 -52.59 -30.7 32.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.492 ' N ' ' ND2' ' A' ' 46' ' ' ASN . 0.3 OUTLIER -59.12 -13.71 7.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.011 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.55 -36.89 74.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.694 HD12 ' HB2' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -97.94 -31.77 12.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.18 -0.76 89.56 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.552 1.158 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.694 ' HB2' HD12 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -107.82 60.99 0.61 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 0.774 . . . . 0.0 109.521 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.76 HG13 ' HB3' ' A' ' 39' ' ' ASN . 0.2 OUTLIER 170.44 -45.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.492 ' ND2' ' N ' ' A' ' 40' ' ' SER . 0.4 OUTLIER -45.53 -33.75 2.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.574 1.171 . . . . 0.0 109.32 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.543 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 1.2 m -57.1 -43.71 82.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 108.359 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 45' ' ' VAL . 0.9 OUTLIER -74.1 -34.24 63.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.392 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.667 HD12 HD12 ' A' ' 52' ' ' LEU . 2.9 mm -57.89 -32.89 44.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.382 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.543 ' CG ' ' O ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -50.69 -35.73 32.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.33 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -66.83 -36.96 83.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.3 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.667 HD12 HD12 ' A' ' 49' ' ' ILE . 49.4 mt -67.35 -56.81 8.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.808 ' HB3' HD11 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -66.85 -33.6 75.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 110.27 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 50' ' ' LYS . 34.2 ptt180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 pp -52.8 142.79 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -133.58 35.45 3.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.931 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 43.24 32.36 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -148.63 18.64 1.28 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.4 m -58.05 -164.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 0.753 . . . . 0.0 109.219 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.463 HG13 ' N ' ' A' ' 8' ' ' GLN . 37.2 pt -82.25 -48.77 17.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.08 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.463 ' N ' HG13 ' A' ' 7' ' ' ILE . 2.4 pt20 -57.05 -24.56 54.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.416 ' N ' ' HG3' ' A' ' 8' ' ' GLN . . . -41.47 -28.5 0.13 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.442 ' N ' ' C ' ' A' ' 8' ' ' GLN . 0.6 OUTLIER -47.88 -23.26 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.557 1.161 . . . . 0.0 109.261 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 14' ' ' ASP . 0.2 OUTLIER -46.98 -20.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.341 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.43 ' N ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -45.34 -31.82 1.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.89 -34.77 72.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.982 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 11' ' ' GLN . 17.4 m-20 -71.72 -29.61 64.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 16' ' ' GLY . 2.0 mt-10 -60.52 -49.91 75.64 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' GLU . . . 36.01 80.66 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.932 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.531 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -177.39 -60.03 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.456 0.739 . . . . 0.0 109.627 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.531 ' HD3' ' CB ' ' A' ' 17' ' ' HIS . 18.3 Cg_endo -74.99 135.98 19.81 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.432 ' O ' ' HB3' ' A' ' 22' ' ' TYR . 0.7 OUTLIER -84.05 -54.42 4.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.421 1.076 . . . . 0.0 111.022 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.533 ' CD ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -56.63 -27.49 58.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.533 ' N ' ' CD ' ' A' ' 20' ' ' ARG . . . -58.37 -34.54 70.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.432 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -76.28 -36.46 58.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 111.024 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.973 HD23 ' N ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -55.82 -47.3 77.42 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.478 1.111 . . . . 0.0 109.225 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.973 ' N ' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -52.39 -27.25 14.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.29 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.571 ' O ' HG23 ' A' ' 29' ' ' ILE . 4.6 t -55.1 -19.17 6.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 110.047 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 6.5 pt-20 -58.28 -41.92 85.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 24' ' ' GLU . 2.3 p -74.01 -36.89 46.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.42 -37.48 78.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.571 HG23 ' O ' ' A' ' 25' ' ' SER . 8.9 pt -79.23 -33.8 15.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.854 ' O ' HG13 ' A' ' 34' ' ' VAL . 3.7 p -54.16 -45.61 72.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.996 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.645 ' O ' HG22 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -64.86 -35.65 81.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 110.345 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -73.98 -52.01 14.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.045 HD11 HG22 ' A' ' 49' ' ' ILE . 0.4 OUTLIER -49.79 -52.22 33.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.854 HG13 ' O ' ' A' ' 30' ' ' SER . 16.5 m -55.1 -35.02 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -69.19 -24.57 64.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 1.0 OUTLIER -60.92 -31.92 71.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 38' ' ' SER . 1.4 p90 -41.91 -26.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.162 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.447 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 2.9 m -55.14 -37.54 67.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 0.0 110.008 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.767 ' O ' HD12 ' A' ' 42' ' ' LEU . 4.8 m-20 -71.41 -29.81 65.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.7 p -57.68 -11.53 2.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.971 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.47 -34.58 64.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.258 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.767 HD12 ' O ' ' A' ' 39' ' ' ASN . 1.0 OUTLIER -41.62 -78.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.47 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . -149.34 18.28 1.17 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.485 1.116 . . . . 0.0 111.027 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.548 ' CD2' ' HB3' ' A' ' 47' ' ' CYS . 2.1 t60 86.22 105.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 109.602 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.539 HG13 ' N ' ' A' ' 46' ' ' ASN . 12.4 p -153.0 -54.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.539 ' N ' HG13 ' A' ' 45' ' ' VAL . 1.7 m-80 -68.04 -33.13 74.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.273 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.548 ' HB3' ' CD2' ' A' ' 44' ' ' HIS . 27.1 t -56.28 -29.68 61.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 108.279 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.603 HG22 HD12 ' A' ' 49' ' ' ILE . 0.8 OUTLIER -75.92 -34.24 59.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 110.398 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 1.045 HG22 HD11 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -72.65 -38.88 59.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.238 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.727 ' HA ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -51.47 -32.85 28.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.472 ' N ' ' HG3' ' A' ' 50' ' ' LYS . 3.4 mt-10 -55.21 -32.81 62.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.0 -54.48 46.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.468 ' CG ' ' HG ' ' A' ' 33' ' ' LEU . 22.4 mmm180 -73.6 -40.59 63.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 110.25 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.272 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.689 HD12 ' N ' ' A' ' 3' ' ' TYR . 2.7 pp -50.88 -48.84 28.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 0.0 109.28 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.689 ' N ' HD12 ' A' ' 2' ' ' ILE . 2.0 t80 68.72 -60.55 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 2' ' ' ILE . 0.1 OUTLIER -91.84 69.25 5.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.584 ' HA3' HD13 ' A' ' 2' ' ' ILE . . . -160.91 -48.19 0.02 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.559 1.162 . . . . 0.0 110.941 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.738 HG22 ' N ' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -41.19 -90.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.548 0.793 . . . . 0.0 109.348 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.922 ' O ' HD12 ' A' ' 10' ' ' ILE . 67.3 mt 74.5 -34.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.568 ' H ' ' C ' ' A' ' 6' ' ' VAL . 1.6 pt20 -50.11 -22.35 1.63 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.432 ' N ' ' HG3' ' A' ' 8' ' ' GLN . . . -42.02 -31.33 0.34 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.436 1.085 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.922 HD12 ' O ' ' A' ' 7' ' ' ILE . 4.1 mt -48.65 -29.67 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.137 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -48.08 -23.83 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.309 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -49.3 -32.33 10.77 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.3 m -65.5 -32.52 74.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.983 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.48 ' O ' ' CG ' ' A' ' 18' ' ' PRO . 3.9 t70 -74.43 -36.98 63.44 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.442 1.088 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.53 -2.81 58.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -121.79 71.5 0.39 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.102 . . . . 0.0 111.043 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.483 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER 175.92 -57.64 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.473 0.749 . . . . 0.0 109.674 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.483 ' HD3' ' CB ' ' A' ' 17' ' ' HIS . 17.9 Cg_endo -75.11 135.75 19.28 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.588 1.836 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -91.95 -44.48 8.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.445 ' HG2' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -59.15 -32.09 69.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.342 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.445 ' N ' ' HG2' ' A' ' 20' ' ' ARG . . . -58.92 -34.67 71.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -75.88 -36.27 59.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.019 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -55.83 -47.48 77.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 1.019 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -52.86 -27.41 18.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.262 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 t -55.18 -18.94 6.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.051 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.52 ' HG2' HD22 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -57.82 -36.7 72.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.671 HG22 ' O ' ' A' ' 24' ' ' GLU . 3.5 m -73.93 -36.39 45.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.92 -37.76 77.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.589 HD12 HH21 ' A' ' 53' ' ' ARG . 41.5 pt -79.5 -33.75 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 1.032 ' O ' HG23 ' A' ' 34' ' ' VAL . 17.8 m -54.1 -39.35 66.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -65.9 -48.43 71.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.08 -36.72 75.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.407 1.067 . . . . 0.0 110.37 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.037 ' O ' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -61.16 -41.77 97.37 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.032 HG23 ' O ' ' A' ' 30' ' ' SER . 82.1 t -56.49 -37.9 53.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -65.61 -26.15 67.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.246 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.85 ' HE3' HD23 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -60.18 -30.7 69.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -41.38 -25.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 111.013 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 36' ' ' LYS . 0.3 OUTLIER -54.92 -36.81 65.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.943 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.768 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.6 t-20 -67.32 -31.19 71.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.419 ' N ' ' HB2' ' A' ' 46' ' ' ASN . 1.4 t -58.14 -11.86 2.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.432 ' C ' ' N ' ' A' ' 43' ' ' GLY . . . -56.64 -32.77 65.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.768 HD12 ' O ' ' A' ' 39' ' ' ASN . 1.1 mt -42.7 -28.21 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.176 . . . . 0.0 109.243 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.586 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . 147.06 -28.36 1.55 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.557 1.161 . . . . 0.0 111.004 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.586 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER 155.69 118.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 109.576 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.539 HG13 ' N ' ' A' ' 46' ' ' ASN . 7.6 p -177.64 -55.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.418 1.073 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.539 ' N ' HG13 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -75.24 -33.95 61.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.529 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 17.7 t -57.49 -29.94 64.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.259 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.61 HG22 ' CD1' ' A' ' 49' ' ' ILE . 0.8 OUTLIER -75.58 -34.33 60.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.582 1.176 . . . . 0.0 110.395 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.61 ' CD1' HG22 ' A' ' 48' ' ' THR . 0.7 OUTLIER -75.86 -48.63 28.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.781 ' HA ' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -54.96 -31.65 60.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 47' ' ' CYS . 1.6 mm-40 -54.2 -32.42 55.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.1 tp -57.33 -53.68 55.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.669 ' CG ' HD12 ' A' ' 33' ' ' LEU . 10.3 mmt-85 -73.91 -34.7 64.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.426 ' C ' ' N ' ' A' ' 3' ' ' TYR . 8.1 ptt180 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.507 ' O ' ' CB ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -40.03 -31.63 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.686 ' O ' HG13 ' A' ' 6' ' ' VAL . 0.9 OUTLIER 73.66 -54.88 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.968 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.41 -22.85 54.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -98.9 17.07 58.73 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.495 1.122 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.686 HG13 ' O ' ' A' ' 3' ' ' TYR . 33.7 m -65.07 -54.99 22.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.475 0.75 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.7 ' O ' HD12 ' A' ' 10' ' ' ILE . 7.1 mt 73.22 -50.14 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.452 ' C ' ' N ' ' A' ' 10' ' ' ILE . 1.9 pt20 -54.34 -22.26 11.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.437 ' HB2' HG21 ' A' ' 6' ' ' VAL . . . -41.24 -28.58 0.11 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.606 1.191 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.7 HD12 ' O ' ' A' ' 7' ' ' ILE . 5.9 mt -48.26 -24.53 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 14' ' ' ASP . 7.7 pt20 -49.18 -24.58 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.383 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.1 -31.52 3.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.2 m -59.43 -36.61 76.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 11' ' ' GLN . 0.9 OUTLIER -49.1 -25.93 2.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 16' ' ' GLY . 44.8 mm-40 -71.25 -1.12 11.62 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.563 1.165 . . . . 0.0 110.246 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.582 ' O ' ' CG ' ' A' ' 17' ' ' HIS . . . -44.82 -97.24 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.582 ' CG ' ' O ' ' A' ' 16' ' ' GLY . 1.4 m170 156.34 -48.24 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 109.622 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 18.4 Cg_endo -74.95 -98.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.488 1.783 . . . . 0.0 110.948 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -73.52 -35.24 65.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.544 ' CD ' ' H ' ' A' ' 20' ' ' ARG . 1.4 mpt_? -59.36 -42.14 90.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.313 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 17' ' ' HIS . . . -57.49 -40.91 79.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.462 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -77.25 -35.33 55.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 111.025 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.749 HD23 ' N ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -53.86 -45.01 70.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.123 . . . . 0.0 109.38 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 1.014 ' O ' HG22 ' A' ' 27' ' ' VAL . 0.3 OUTLIER -52.1 -27.61 14.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.358 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.2 t -55.27 -19.11 7.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.966 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 1.5 pp20? -57.99 -27.49 63.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 1.014 HG22 ' O ' ' A' ' 24' ' ' GLU . 34.4 m -67.04 -34.93 73.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.62 -40.81 84.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 30' ' ' SER . 11.8 pt -79.42 -33.44 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 1.01 ' O ' HG23 ' A' ' 34' ' ' VAL . 22.3 t -53.51 -44.53 69.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.972 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 9.3 pt-20 -69.56 -40.53 76.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.256 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 35' ' ' GLN . 2.6 mm-40 -70.19 -50.81 36.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.598 1.186 . . . . 0.0 110.345 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.062 ' O ' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -47.37 -33.85 6.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.396 1.06 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.01 HG23 ' O ' ' A' ' 30' ' ' SER . 81.0 t -58.82 -38.36 72.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' GLU . 15.5 mt-30 -66.36 -23.46 66.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.432 ' C ' ' N ' ' A' ' 38' ' ' SER . 3.8 mmtp -66.84 -31.01 71.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.553 ' CD1' ' O ' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -42.29 -24.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 111.027 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.549 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -54.68 -38.59 67.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 110.019 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.928 ' O ' HD22 ' A' ' 42' ' ' LEU . 2.0 m-20 -54.7 -31.49 58.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.243 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.467 ' CB ' ' HB3' ' A' ' 47' ' ' CYS . 0.9 OUTLIER -60.18 -12.8 9.52 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.473 1.108 . . . . 0.0 109.977 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.8 -45.33 90.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.928 HD22 ' O ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -42.59 -86.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.475 ' O ' ' CG ' ' A' ' 44' ' ' HIS . . . -129.8 8.58 6.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.6 ' O ' ' CD2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER 85.54 115.3 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.423 0.719 . . . . 0.0 109.613 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.609 HG13 ' H ' ' A' ' 46' ' ' ASN . 2.8 p -163.35 -59.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.08 . . . . 0.0 109.236 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.609 ' H ' HG13 ' A' ' 45' ' ' VAL . 1.5 m-80 -58.87 -33.05 70.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.483 ' HA ' ' CG ' ' A' ' 50' ' ' LYS . 28.9 p -56.07 -32.27 63.95 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 108.3 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.641 HG22 HD12 ' A' ' 49' ' ' ILE . 0.7 OUTLIER -76.04 -34.8 59.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.359 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.641 HD12 HG22 ' A' ' 48' ' ' THR . 1.2 mp -76.0 -48.13 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.78 ' HA ' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -55.62 -32.74 63.38 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.415 ' N ' ' HD2' ' A' ' 50' ' ' LYS . 3.4 pt-20 -54.13 -31.21 51.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.335 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 49.8 mt -57.74 -54.16 50.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.635 ' HB2' HD12 ' A' ' 33' ' ' LEU . 10.7 mmt-85 -73.54 -40.67 63.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.32 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 110.32 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.409 ' NH1' ' HB2' ' A' ' 28' ' ' ALA . 16.0 tpp85 . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.833 HD12 ' N ' ' A' ' 3' ' ' TYR . 2.5 pp -66.57 -158.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.833 ' N ' HD12 ' A' ' 2' ' ' ILE . 0.0 OUTLIER 173.87 -32.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.422 ' CD ' HG22 ' A' ' 6' ' ' VAL . 1.0 OUTLIER -52.37 -23.18 5.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.209 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 6' ' ' VAL . . . 119.34 -47.25 1.04 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.739 HG12 ' H ' ' A' ' 7' ' ' ILE . 1.6 t 44.28 -169.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.549 0.793 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.943 ' O ' HD12 ' A' ' 10' ' ' ILE . 0.9 OUTLIER -124.34 -47.5 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.423 ' C ' ' N ' ' A' ' 10' ' ' ILE . 0.5 OUTLIER -65.92 -26.44 67.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.276 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.493 ' O ' ' CD ' ' A' ' 12' ' ' LYS . . . -42.0 -28.53 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.943 HD12 ' O ' ' A' ' 7' ' ' ILE . 8.2 mt -48.56 -24.3 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 14' ' ' ASP . 11.4 pt20 -49.16 -25.95 2.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.493 ' CD ' ' O ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -47.87 -31.92 5.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.1 m -60.59 -34.82 74.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.056 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 11' ' ' GLN . 29.5 m-20 -60.31 -29.3 68.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.567 1.167 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' GLY . 5.7 mm-40 -70.93 -25.95 62.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' GLU . . . 37.67 58.8 1.4 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.637 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -42.72 104.89 0.39 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.759 . . . . 0.0 109.574 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.52 ' HG2' ' CD ' ' A' ' 20' ' ' ARG . 18.4 Cg_endo -74.95 -47.92 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.489 1.784 . . . . 0.0 111.008 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -170.68 -50.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.52 ' CD ' ' HG2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -65.41 -31.04 71.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.358 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.637 ' HB3' ' CB ' ' A' ' 17' ' ' HIS . . . -58.07 -34.19 69.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.355 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.401 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.3 OUTLIER -75.54 -35.79 60.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.97 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.997 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -55.58 -47.08 77.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.33 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.997 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -52.77 -27.06 16.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.25 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.503 ' O ' HG23 ' A' ' 29' ' ' ILE . 5.2 m -54.91 -19.47 6.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.488 ' OE2' HG22 ' A' ' 27' ' ' VAL . 1.9 pp20? -58.06 -27.52 63.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.488 HG22 ' OE2' ' A' ' 26' ' ' GLU . 21.9 t -73.69 -32.91 36.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.425 ' O ' ' CG ' ' A' ' 31' ' ' GLU . . . -70.09 -42.92 72.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.503 HG23 ' O ' ' A' ' 25' ' ' SER . 2.8 pt -68.34 -38.54 79.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.58 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -56.52 -49.59 74.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.026 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 28' ' ' ALA . 9.8 pt-20 -66.57 -35.25 79.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 1.6 mt-10 -71.67 -48.61 46.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 1.039 HD22 HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -44.58 -34.99 2.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 30' ' ' SER . 3.3 t -56.85 -45.31 83.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 3.0 pt20 -69.0 -26.64 65.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.469 ' CG ' ' HA ' ' A' ' 33' ' ' LEU . 1.5 mmmm -60.14 -30.09 69.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.573 ' CD1' ' HD3' ' A' ' 50' ' ' LYS . 3.2 t80 -42.48 -25.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 111.064 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -60.37 -37.44 80.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.942 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.8 ' O ' HD12 ' A' ' 42' ' ' LEU . 2.0 m-20 -55.09 -30.9 60.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.466 ' N ' ' HB2' ' A' ' 46' ' ' ASN . 0.4 OUTLIER -57.96 -11.86 2.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.955 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.45 -33.89 66.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.8 HD12 ' O ' ' A' ' 39' ' ' ASN . 0.9 OUTLIER -44.86 -79.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . -145.58 15.95 1.82 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.461 1.101 . . . . 0.0 111.038 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.501 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 0.7 OUTLIER 88.92 48.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.764 . . . . 0.0 109.612 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.525 HG23 ' N ' ' A' ' 46' ' ' ASN . 17.5 m -88.95 -53.04 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.705 ' OD1' HD11 ' A' ' 49' ' ' ILE . 0.4 OUTLIER -44.36 -27.08 0.39 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.59 1.181 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.437 ' SG ' ' CE1' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -49.45 -30.54 8.25 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.442 1.089 . . . . 0.0 108.233 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.488 HG23 HG23 ' A' ' 49' ' ' ILE . 9.4 t -67.28 -51.74 49.14 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.537 1.148 . . . . 0.0 110.412 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.928 HD12 ' N ' ' A' ' 50' ' ' LYS . 1.8 pp -75.68 -26.65 18.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.348 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.928 ' N ' HD12 ' A' ' 49' ' ' ILE . 6.0 mmmt -46.24 -30.58 2.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.419 1.074 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.43 -30.07 27.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.358 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 1.039 HD23 HD22 ' A' ' 33' ' ' LEU . 5.5 tp -57.99 -50.1 74.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.618 ' HG3' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -53.7 -45.68 70.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 110.257 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.471 ' N ' ' HE ' ' A' ' 20' ' ' ARG . 2.5 ppt_? . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.669 HG21 ' HE2' ' A' ' 4' ' ' LYS . 4.5 mp -94.54 -80.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.405 ' CD2' ' O ' ' A' ' 2' ' ' ILE . 0.2 OUTLIER 172.4 38.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 111.007 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.669 ' HE2' HG21 ' A' ' 2' ' ' ILE . 0.0 OUTLIER -145.57 18.83 1.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 48.34 49.01 26.61 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.574 1.171 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.431 HG12 ' N ' ' A' ' 7' ' ' ILE . 51.4 t -56.73 162.23 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.783 . . . . 0.0 109.263 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.854 ' O ' HD12 ' A' ' 10' ' ' ILE . 41.8 pt -78.31 -48.39 22.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.456 ' N ' HG13 ' A' ' 7' ' ' ILE . 1.5 pt20 -58.95 -25.32 63.41 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.484 ' O ' ' CD ' ' A' ' 12' ' ' LYS . . . -48.8 -24.15 1.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.854 HD12 ' O ' ' A' ' 7' ' ' ILE . 1.3 mp -60.17 -27.36 39.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.354 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 14' ' ' ASP . 1.0 OUTLIER -47.85 -23.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.286 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.484 ' CD ' ' O ' ' A' ' 9' ' ' ALA . 0.6 OUTLIER -49.51 -32.01 11.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.2 p -65.28 -31.34 72.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 110.081 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 11' ' ' GLN . 4.3 t0 -67.1 -29.62 69.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.084 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -73.42 -38.2 65.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.536 ' O ' ' CG ' ' A' ' 17' ' ' HIS . . . 121.33 -71.2 0.39 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.558 1.161 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 16' ' ' GLY . 47.1 m80 -162.46 74.46 2.15 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.523 0.778 . . . . 0.0 109.569 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.701 ' HD2' ' HB2' ' A' ' 21' ' ' ALA . 18.3 Cg_endo -74.96 -174.81 2.06 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.493 1.786 . . . . 0.0 111.093 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -52.44 -32.2 38.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.584 1.178 . . . . 0.0 111.036 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.526 ' CD ' ' H ' ' A' ' 20' ' ' ARG . 2.5 mpt_? -71.16 -45.21 63.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.402 1.064 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.701 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . . . -57.13 -40.43 77.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.416 ' O ' ' CB ' ' A' ' 25' ' ' SER . 5.9 m-85 -77.79 -35.42 51.53 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.569 1.168 . . . . 0.0 111.019 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.935 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -54.54 -47.66 72.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.255 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 1.033 ' O ' HG22 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -52.62 -27.39 16.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.273 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 22' ' ' TYR . 6.0 t -55.24 -18.53 6.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -56.81 -27.7 60.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 1.033 HG22 ' O ' ' A' ' 24' ' ' GLU . 26.8 m -73.31 -33.87 42.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.53 -39.08 93.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.891 ' O ' HD22 ' A' ' 33' ' ' LEU . 6.9 pt -79.18 -36.22 18.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.698 ' O ' HG23 ' A' ' 34' ' ' VAL . 22.9 t -48.85 -41.51 33.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 110.016 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -72.69 -35.94 67.76 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' GLN . 1.0 OUTLIER -72.08 -51.06 23.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.373 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.891 HD22 ' O ' ' A' ' 29' ' ' ILE . 0.5 OUTLIER -44.93 -32.44 1.62 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 30' ' ' SER . 2.3 t -61.49 -44.11 98.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' GLU . 1.8 pt20 -66.34 -26.67 67.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.331 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.437 ' C ' ' N ' ' A' ' 38' ' ' SER . 18.2 mmtt -60.68 -29.82 69.54 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -41.72 -25.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.409 1.068 . . . . 0.0 110.998 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.437 ' N ' ' C ' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -54.17 -37.06 64.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.025 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -62.59 -30.01 71.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.476 ' HB3' ' CB ' ' A' ' 47' ' ' CYS . 0.7 OUTLIER -58.02 -15.81 10.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.966 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.464 ' O ' ' C ' ' A' ' 42' ' ' LEU . . . -59.32 -43.38 92.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.88 HD23 ' N ' ' A' ' 43' ' ' GLY . 1.0 OUTLIER -35.77 -65.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.88 ' N ' HD23 ' A' ' 42' ' ' LEU . . . -166.1 27.74 0.18 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.556 1.16 . . . . 0.0 111.058 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 40' ' ' SER . 0.0 OUTLIER 70.79 72.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 0.737 . . . . 0.0 109.557 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.52 ' O ' HG22 ' A' ' 48' ' ' THR . 0.0 OUTLIER -123.46 -42.12 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -80.03 -33.43 39.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.476 ' CB ' ' HB3' ' A' ' 40' ' ' SER . 4.9 t -55.8 -31.67 62.85 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.527 1.142 . . . . 0.0 108.275 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.53 HG23 HD12 ' A' ' 49' ' ' ILE . 1.1 t -60.4 -36.52 78.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 110.438 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.587 HG22 ' HE3' ' A' ' 50' ' ' LYS . 1.3 mp -76.35 -32.56 22.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.587 ' HE3' HG22 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -52.16 -33.15 39.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.071 . . . . 0.0 109.272 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.47 -33.37 59.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 0.0 110.258 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.9 mt -65.73 -45.56 82.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.485 ' HA ' ' CZ ' ' A' ' 53' ' ' ARG . 1.7 mmp_? -75.54 -36.25 60.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.203 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 2' ' ' ILE . 2.6 ptt180 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.654 ' N ' HD13 ' A' ' 2' ' ' ILE . 0.2 OUTLIER -37.64 -42.95 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.472 ' CB ' ' O ' ' A' ' 2' ' ' ILE . 2.8 t80 71.45 -56.24 0.64 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.072 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -15.19 55.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.05 -26.63 12.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.461 ' CG2' ' HA ' ' A' ' 3' ' ' TYR . 18.8 m -101.81 18.37 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.76 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.728 HG23 HD11 ' A' ' 10' ' ' ILE . 82.2 mt -39.74 -31.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.44 1.087 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.6 ' O ' ' N ' ' A' ' 11' ' ' GLN . 1.4 pt20 -52.37 -19.83 2.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.565 ' O ' ' CG ' ' A' ' 12' ' ' LYS . . . -45.45 -26.63 0.59 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.728 HD11 HG23 ' A' ' 7' ' ' ILE . 0.1 OUTLIER -94.92 -24.75 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.6 ' N ' ' O ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -44.04 -20.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.596 ' CD ' ' H ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -41.44 -34.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.8 p -65.22 -48.91 71.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.959 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 11' ' ' GLN . 20.7 t0 -53.85 -29.87 43.08 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.404 1.065 . . . . 0.0 109.324 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.574 ' CB ' ' CE1' ' A' ' 17' ' ' HIS . 2.7 mm-40 -74.85 -19.32 60.22 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.441 1.088 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.2 47.47 55.35 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.559 1.162 . . . . 0.0 111.062 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.574 ' CE1' ' CB ' ' A' ' 15' ' ' GLU . 29.1 m-70 -48.82 105.75 0.54 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.544 0.79 . . . . 0.0 109.65 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -82.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.569 1.826 . . . . 0.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -150.89 -44.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.22 -31.74 73.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.43 -44.65 89.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -62.36 -35.55 79.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.922 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.008 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -55.0 -47.48 74.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 1.008 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -52.77 -27.53 18.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 22' ' ' TYR . 7.3 t -55.2 -18.97 6.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.591 ' CD ' HG13 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -58.15 -38.81 77.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.99 HG22 ' O ' ' A' ' 24' ' ' GLU . 35.5 m -73.68 -32.76 36.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.442 ' O ' ' CG ' ' A' ' 31' ' ' GLU . . . -62.65 -37.57 86.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.621 1.201 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.431 HG13 ' N ' ' A' ' 30' ' ' SER . 9.4 pt -79.04 -33.99 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.783 ' O ' HG23 ' A' ' 34' ' ' VAL . 47.0 t -54.45 -44.94 72.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.442 ' CG ' ' O ' ' A' ' 28' ' ' ALA . 7.3 pt-20 -67.32 -39.5 85.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.437 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 37.8 mt-10 -70.33 -36.89 74.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.553 HD11 HG22 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -61.93 -34.99 77.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.376 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 30' ' ' SER . 57.9 t -71.26 -36.91 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -67.32 -25.92 66.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.435 ' HG3' ' ND2' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -63.58 -30.86 71.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.587 1.179 . . . . 0.0 109.266 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 34' ' ' VAL . 0.5 OUTLIER -45.18 -21.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.532 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 2.8 m -53.8 -38.55 64.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.997 ' O ' HD22 ' A' ' 42' ' ' LEU . 2.4 t-20 -59.7 -29.62 68.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.497 ' CB ' ' HB2' ' A' ' 47' ' ' CYS . 1.1 p -58.17 -12.09 3.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.033 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.8 -39.36 73.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.997 HD22 ' O ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -46.35 -86.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 109.233 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 44' ' ' HIS . . . -126.95 3.83 7.4 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 4.1 t60 87.36 103.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 109.602 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.437 ' O ' ' HB ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -151.04 -61.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.453 1.096 . . . . 0.0 109.35 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.486 ' ND2' ' CB ' ' A' ' 39' ' ' ASN . 7.0 m-20 -54.99 -32.71 61.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.363 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.501 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 49.7 t -56.42 -31.99 64.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 108.323 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.656 HG22 HD12 ' A' ' 49' ' ' ILE . 0.6 OUTLIER -75.62 -32.72 60.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.354 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.656 HD12 HG22 ' A' ' 48' ' ' THR . 0.7 OUTLIER -68.23 -40.8 83.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.355 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -51.71 -31.14 25.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' ' 50' ' ' LYS . 9.3 mt-10 -53.64 -34.09 57.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 5.1 mp -60.59 -53.01 62.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.478 ' HG3' ' CB ' ' A' ' 33' ' ' LEU . 9.6 mmm180 -73.47 -34.26 65.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.411 1.069 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.581 1.176 . . . . 0.0 110.291 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.427 HD12 ' H ' ' A' ' 3' ' ' TYR . 0.5 OUTLIER -45.01 -89.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.427 ' H ' HD12 ' A' ' 2' ' ' ILE . 32.6 t80 58.08 14.65 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.407 ' HE2' HG22 ' A' ' 2' ' ' ILE . 0.0 OUTLIER -97.3 5.08 50.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.363 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.474 ' O ' ' C ' ' A' ' 6' ' ' VAL . . . 82.74 56.29 2.8 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.628 HG22 ' H ' ' A' ' 9' ' ' ALA . 0.2 OUTLIER -33.88 141.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 0.735 . . . . 0.0 109.267 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.894 ' O ' HD12 ' A' ' 10' ' ' ILE . 28.3 pt -87.61 -43.85 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 11' ' ' GLN . 2.4 pt20 -51.32 -21.51 2.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 110.258 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.628 ' H ' HG22 ' A' ' 6' ' ' VAL . . . -53.27 -23.67 9.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.894 HD12 ' O ' ' A' ' 7' ' ' ILE . 2.8 mp -77.51 -23.19 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 8' ' ' GLN . 8.0 pt20 -47.7 -23.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 110.358 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.495 ' CD ' ' O ' ' A' ' 9' ' ' ALA . 0.2 OUTLIER -47.02 -31.78 3.5 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.108 . . . . 0.0 109.286 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.54 -34.28 72.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 110.035 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 11' ' ' GLN . 11.2 t0 -70.71 -29.98 66.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -74.42 -22.76 58.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 110.326 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 60.55 38.16 94.49 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.502 1.127 . . . . 0.0 110.955 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 21.6 m80 44.88 78.64 0.38 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.747 . . . . 0.0 109.608 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.784 ' HG2' ' HB2' ' A' ' 21' ' ' ALA . 18.4 Cg_endo -74.94 -161.62 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.438 1.757 . . . . 0.0 111.01 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -103.81 -35.23 8.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.54 ' CD ' ' H ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -75.29 -30.09 60.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.784 ' HB2' ' HG2' ' A' ' 18' ' ' PRO . . . -54.22 -33.62 58.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.422 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -75.5 -34.28 60.83 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.434 1.084 . . . . 0.0 110.987 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.019 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -58.19 -47.38 83.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 1.019 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -52.84 -27.14 16.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 110.272 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.697 ' O ' HG23 ' A' ' 29' ' ' ILE . 5.3 t -54.98 -19.46 6.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.964 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.544 ' HG2' HD22 ' A' ' 23' ' ' LEU . 2.0 pp20? -58.3 -43.96 88.35 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.151 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 24' ' ' GLU . 1.4 p -74.01 -38.72 49.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.341 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.464 ' O ' ' CG ' ' A' ' 31' ' ' GLU . . . -58.3 -38.35 76.89 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.697 HG23 ' O ' ' A' ' 25' ' ' SER . 10.9 pt -78.49 -34.4 18.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.347 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.797 ' O ' HG13 ' A' ' 34' ' ' VAL . 1.1 t -55.19 -44.78 75.63 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.597 1.185 . . . . 0.0 109.979 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.525 ' O ' HG22 ' A' ' 34' ' ' VAL . 7.5 pt-20 -66.91 -39.15 87.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.431 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -70.92 -36.88 72.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.71 HD21 ' HB3' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -64.1 -54.76 28.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.797 HG13 ' O ' ' A' ' 30' ' ' SER . 5.7 m -56.92 -37.51 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -70.7 -26.3 63.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.349 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 38' ' ' SER . 1.2 ptmt -71.91 -28.71 63.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.621 ' CD1' ' O ' ' A' ' 34' ' ' VAL . 0.6 OUTLIER -40.86 -25.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.563 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -53.65 -34.99 60.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 110.024 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.859 ' HB3' HG11 ' A' ' 45' ' ' VAL . 91.5 m-20 -48.16 -30.34 4.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.412 ' HB2' ' ND2' ' A' ' 46' ' ' ASN . 8.4 t -56.98 -18.45 13.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.024 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . -60.94 -43.66 98.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.827 ' C ' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -38.02 -31.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.526 ' O ' ' CD2' ' A' ' 44' ' ' HIS . . . 137.74 -9.57 3.68 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.526 ' CD2' ' O ' ' A' ' 43' ' ' GLY . 2.9 m-70 167.32 105.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 109.623 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.859 HG11 ' HB3' ' A' ' 39' ' ' ASN . 21.2 t -152.09 -49.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.365 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.412 ' ND2' ' HB2' ' A' ' 40' ' ' SER . 1.9 m-20 -42.44 -32.37 0.53 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.522 ' O ' ' CD ' ' A' ' 50' ' ' LYS . 5.9 t -55.58 -46.32 77.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 108.309 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 45' ' ' VAL . 1.8 m -74.94 -32.71 61.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.383 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.859 HG22 ' HD2' ' A' ' 53' ' ' ARG . 2.0 mm -56.3 -31.4 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.522 ' CD ' ' O ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -49.06 -33.33 11.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.232 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.937 ' HG2' HD22 ' A' ' 52' ' ' LEU . 3.4 pt-20 -69.85 -37.54 76.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.937 HD22 ' HG2' ' A' ' 51' ' ' GLU . 2.4 mm? -67.6 -58.58 4.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.859 ' HD2' HG22 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -67.79 -35.99 79.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.42 1.075 . . . . 0.0 110.275 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 50' ' ' LYS . 29.4 ptt180 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.269 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.647 ' NE ' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.752 ' O ' HD12 ' A' ' 2' ' ' ILE . 1.5 pp -113.37 136.26 50.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.357 1.035 . . . . 0.0 109.313 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.647 ' CE1' ' NE ' ' A' ' 1' ' ' ARG . 3.1 m-30 -93.77 32.32 1.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 111.033 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.515 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 41.28 33.57 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.249 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.473 ' O ' ' C ' ' A' ' 6' ' ' VAL . . . 77.72 43.87 13.84 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 110.972 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.806 HG13 ' N ' ' A' ' 7' ' ' ILE . 1.6 p 35.1 -150.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.498 0.763 . . . . 0.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.806 ' N ' HG13 ' A' ' 6' ' ' VAL . 1.0 OUTLIER -126.73 -47.46 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.422 1.076 . . . . 0.0 109.314 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.478 ' C ' ' N ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -55.98 -23.47 32.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.559 ' HB2' HG12 ' A' ' 6' ' ' VAL . . . -42.29 -25.09 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.478 ' N ' ' C ' ' A' ' 8' ' ' GLN . 14.1 mt -47.2 -22.4 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 14' ' ' ASP . 2.2 pp0? -43.66 -28.52 0.41 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.466 1.104 . . . . 0.0 110.345 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.465 ' HD3' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -46.32 -30.65 2.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.465 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 4.9 m -61.14 -35.98 78.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.038 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 11' ' ' GLN . 1.7 m-20 -64.11 -29.94 71.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.82 -48.86 67.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.86 -51.97 4.14 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.548 1.155 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 59.2 156.2 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.496 0.762 . . . . 0.0 109.608 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.792 ' HD2' ' HB3' ' A' ' 21' ' ' ALA . 18.1 Cg_endo -75.08 -66.16 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.598 1.841 . . . . 0.0 110.966 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 179.3 -55.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.572 ' CD ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -73.5 -28.09 61.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.352 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.792 ' HB3' ' HD2' ' A' ' 18' ' ' PRO . . . -58.46 -32.82 69.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.423 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -69.58 -36.46 76.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.936 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.008 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -55.77 -47.41 77.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.377 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 1.008 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -52.67 -26.98 15.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.545 1.153 . . . . 0.0 110.332 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 22' ' ' TYR . 8.1 t -54.96 -19.28 6.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.571 ' HG2' HD22 ' A' ' 23' ' ' LEU . 1.3 pp20? -58.07 -40.44 81.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 110.258 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 24' ' ' GLU . 1.3 p -73.75 -40.99 54.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.45 -40.0 81.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.16 . . . . 0.0 109.334 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.2 pt -78.66 -33.99 17.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.4 m -54.41 -33.22 58.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.506 ' O ' HG23 ' A' ' 34' ' ' VAL . 16.0 tt0 -70.01 -49.69 48.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.267 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -70.95 -36.99 72.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.85 HD21 ' HG2' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -50.66 -22.73 2.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.563 1.165 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 31' ' ' GLU . 61.9 t -56.12 -38.16 52.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -58.62 -25.52 62.76 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 38' ' ' SER . 26.1 mmmt -60.25 -30.09 69.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.224 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -41.62 -26.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 36' ' ' LYS . 16.7 m -54.72 -37.24 65.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.061 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.936 ' HB3' HG23 ' A' ' 45' ' ' VAL . 32.6 m120 -48.5 -30.73 5.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.449 ' N ' ' OD1' ' A' ' 46' ' ' ASN . 0.3 OUTLIER -58.64 -13.84 6.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.084 . . . . 0.0 110.002 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.648 ' C ' HD13 ' A' ' 42' ' ' LEU . . . -58.99 -36.6 75.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.814 HD22 ' O ' ' A' ' 39' ' ' ASN . 0.0 OUTLIER -98.49 -18.24 18.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 66.37 54.65 22.26 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 -139.17 -102.14 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 0.0 109.607 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.936 HG23 ' HB3' ' A' ' 39' ' ' ASN . 2.5 m -41.42 -34.63 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 40' ' ' SER . 3.6 t30 -45.06 -33.94 2.33 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -56.34 -43.77 79.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.601 1.188 . . . . 0.0 108.287 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.546 HG22 ' CD1' ' A' ' 49' ' ' ILE . 0.6 OUTLIER -71.45 -35.23 70.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.356 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.546 ' CD1' HG22 ' A' ' 48' ' ' THR . 1.2 mp -58.92 -35.16 55.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -55.61 -36.36 66.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -34.12 70.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.466 ' HB2' HD11 ' A' ' 33' ' ' LEU . 25.1 mt -61.91 -56.64 17.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.85 ' HG2' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -77.45 -33.35 54.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.225 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.83 HG22 ' HG2' ' A' ' 4' ' ' LYS . 0.7 OUTLIER -126.71 -54.21 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.337 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.457 ' CB ' ' O ' ' A' ' 2' ' ' ILE . 7.5 t80 70.67 5.42 5.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.83 ' HG2' HG22 ' A' ' 2' ' ' ILE . 2.6 ptpp? -126.29 4.08 7.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 149.57 72.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.471 ' HA ' HD12 ' A' ' 2' ' ' ILE . 0.3 OUTLIER -109.33 -6.41 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 109.224 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.512 ' O ' HD13 ' A' ' 10' ' ' ILE . 38.4 mt -39.92 -30.12 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.453 ' N ' ' C ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -51.19 -22.89 2.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.403 ' O ' ' HG3' ' A' ' 12' ' ' LYS . . . -50.44 -22.48 1.92 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.443 1.089 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.512 HD13 ' O ' ' A' ' 7' ' ' ILE . 2.4 mp -70.7 -24.7 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 14' ' ' ASP . 15.3 pt20 -44.38 -26.06 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.425 ' HD3' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -46.25 -31.78 2.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.425 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -59.29 -36.79 76.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.182 . . . . 0.0 110.027 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.498 ' O ' ' CD ' ' A' ' 18' ' ' PRO . 9.0 t0 -69.13 -29.95 68.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.82 -2.79 25.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.331 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -93.12 58.18 2.41 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.13 . . . . 0.0 111.043 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.514 ' CG ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER 177.77 -58.36 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.494 0.761 . . . . 0.0 109.566 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.514 ' HD3' ' CG ' ' A' ' 17' ' ' HIS . 18.4 Cg_endo -74.96 166.28 29.55 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.527 1.804 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -116.87 -37.61 3.58 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.42 1.075 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.431 ' HG2' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -63.93 -31.47 72.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.332 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.431 ' N ' ' HG2' ' A' ' 20' ' ' ARG . . . -58.4 -34.42 70.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -75.17 -35.91 61.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.019 HD23 ' N ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -55.64 -47.23 76.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 1.031 ' O ' HG22 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -52.59 -27.74 18.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.6 t -55.39 -18.5 6.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.142 . . . . 0.0 109.949 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -57.62 -30.57 65.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.12 . . . . 0.0 110.317 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 1.031 HG22 ' O ' ' A' ' 24' ' ' GLU . 35.2 m -74.86 -33.21 29.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.02 -39.7 75.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.419 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 3.7 pt -79.83 -30.51 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.353 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.823 ' O ' HG22 ' A' ' 34' ' ' VAL . 0.8 OUTLIER -48.38 -44.78 35.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.978 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.457 ' HA ' ' CG2' ' A' ' 34' ' ' VAL . 3.4 pt-20 -71.86 -32.06 67.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 1.074 . . . . 0.0 110.256 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 36' ' ' LYS . 2.7 mm-40 -70.57 -54.58 11.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.257 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.815 HD21 ' HA ' ' A' ' 30' ' ' SER . 1.7 pp -52.99 -56.79 13.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.823 HG22 ' O ' ' A' ' 30' ' ' SER . 30.4 m -54.96 -38.23 44.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.425 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 7.0 mm100 -71.25 -30.13 65.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.404 1.065 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.56 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -60.8 -29.42 69.44 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.429 1.08 . . . . 0.0 109.349 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -54.08 -18.17 3.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 111.027 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.568 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 1.6 m -58.32 -38.61 77.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.99 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.952 ' O ' HD22 ' A' ' 42' ' ' LEU . 4.0 m-80 -54.89 -30.06 57.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.1 t -58.03 -13.17 4.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 0.0 110.003 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.89 -35.72 73.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.952 HD22 ' O ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -56.59 -20.83 22.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.556 ' O ' ' CG ' ' A' ' 44' ' ' HIS . . . 133.04 -32.17 2.79 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.451 1.095 . . . . 0.0 111.05 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 43' ' ' GLY . 1.1 m170 159.12 122.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.618 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.498 ' O ' ' CG2' ' A' ' 48' ' ' THR . 8.6 p -177.93 -37.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.463 ' HB2' ' CB ' ' A' ' 39' ' ' ASN . 0.6 OUTLIER -102.3 -30.35 11.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.5 t -53.14 -30.79 38.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 108.256 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.929 HG23 HD13 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -59.84 -40.69 89.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.33 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.929 HD13 HG23 ' A' ' 48' ' ' THR . 1.2 mp -76.74 -33.11 21.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.233 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.71 -31.48 26.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.341 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.471 ' HG2' ' CD2' ' A' ' 52' ' ' LEU . 8.4 pt-20 -53.15 -33.13 51.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.274 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.471 ' CD2' ' HG2' ' A' ' 51' ' ' GLU . 2.4 mm? -59.11 -44.9 92.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.652 ' HD2' HD22 ' A' ' 33' ' ' LEU . 11.7 mmt180 -55.22 -38.5 68.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.128 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.415 1.072 . . . . 0.0 110.324 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.5 ttm-85 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.3 mt 63.17 -83.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.417 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER 179.08 34.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 111.068 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 3' ' ' TYR . 8.1 tttm 170.27 -33.29 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.228 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.63 55.47 0.7 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.452 1.095 . . . . 0.0 111.029 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.424 ' CG1' ' N ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -112.41 -45.22 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 0.792 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.424 ' N ' ' CG1' ' A' ' 6' ' ' VAL . 17.7 mt 77.87 -45.71 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 10' ' ' ILE . 2.3 pt20 -52.76 -20.04 2.89 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.532 1.145 . . . . 0.0 110.264 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.476 ' O ' ' HG3' ' A' ' 12' ' ' LYS . . . -40.98 -27.04 0.05 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.113 . . . . 0.0 109.256 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.461 ' N ' ' O ' ' A' ' 8' ' ' GLN . 22.9 pt -45.44 -22.97 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.46 ' N ' ' C ' ' A' ' 9' ' ' ALA . 2.0 pt20 -44.32 -26.99 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.497 ' CD ' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -46.7 -30.43 2.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.497 ' N ' ' CD ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -59.14 -35.71 73.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.018 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 11' ' ' GLN . 75.5 m-20 -71.53 -29.86 65.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -74.65 -16.99 60.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 110.347 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 61.37 34.87 89.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.143 . . . . 0.0 111.047 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.515 ' CE1' ' HB2' ' A' ' 22' ' ' TYR . 3.3 t-160 46.63 80.46 0.29 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.506 0.768 . . . . 0.0 109.604 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.443 ' HD2' ' CB ' ' A' ' 21' ' ' ALA . 18.1 Cg_endo -75.01 -60.65 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.471 1.774 . . . . 0.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -172.58 -55.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.564 ' CD ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -64.39 -27.5 69.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.564 ' N ' ' CD ' ' A' ' 20' ' ' ARG . . . -57.96 -33.15 68.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.515 ' HB2' ' CE1' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -74.94 -36.5 62.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.135 . . . . 0.0 110.999 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.911 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -57.49 -47.75 81.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.25 -179.915 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 1.026 ' O ' HG22 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -53.33 -27.07 21.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 t -54.98 -18.9 5.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.985 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.426 ' OE2' HD21 ' A' ' 23' ' ' LEU . 22.4 pt-20 -57.89 -27.97 63.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 1.026 HG22 ' O ' ' A' ' 24' ' ' GLU . 34.7 m -73.43 -32.93 38.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.447 ' O ' ' HG3' ' A' ' 31' ' ' GLU . . . -64.68 -35.76 82.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.471 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 6.7 pt -83.14 -35.89 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.419 ' N ' HG13 ' A' ' 29' ' ' ILE . 10.7 t -67.8 -46.15 72.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.949 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.764 ' O ' HG22 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -58.76 -46.55 87.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.26 -179.908 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.457 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 12.6 pt-20 -70.57 -35.8 73.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.99 HD13 ' O ' ' A' ' 33' ' ' LEU . 1.8 tm? -46.46 -25.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.764 HG22 ' O ' ' A' ' 31' ' ' GLU . 11.0 m -57.38 -37.67 58.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -58.32 -25.58 62.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.367 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.833 ' HG3' HD22 ' A' ' 33' ' ' LEU . 9.5 mmtt -59.58 -30.02 68.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.238 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -41.41 -25.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.437 ' N ' ' C ' ' A' ' 36' ' ' LYS . 1.6 m -54.64 -36.51 64.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.098 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.916 ' O ' HD22 ' A' ' 42' ' ' LEU . 7.6 m-20 -48.4 -30.22 4.8 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.523 ' N ' ' ND2' ' A' ' 46' ' ' ASN . 30.4 t -58.75 -13.89 7.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.531 ' C ' HD13 ' A' ' 42' ' ' LEU . . . -59.21 -37.25 77.01 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.433 1.083 . . . . 0.0 109.336 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.916 HD22 ' O ' ' A' ' 39' ' ' ASN . 0.0 OUTLIER -88.29 -39.7 14.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.31 32.97 15.14 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.635 ' C ' HG12 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -156.65 65.01 0.53 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.55 0.794 . . . . 0.0 109.631 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.808 HG13 ' HB3' ' A' ' 39' ' ' ASN . 0.2 OUTLIER 173.83 -44.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.234 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.523 ' ND2' ' N ' ' A' ' 40' ' ' SER . 0.3 OUTLIER -45.4 -33.81 2.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.3 t -54.92 -41.87 71.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 108.331 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.571 HG22 ' O ' ' A' ' 45' ' ' VAL . 1.2 t -72.52 -34.24 67.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 110.453 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.72 HG23 HD11 ' A' ' 33' ' ' LEU . 1.2 mp -57.64 -33.98 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 54' ' ' ARG . 3.2 mmtm -52.79 -35.74 57.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.39 -34.05 72.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.418 1.074 . . . . 0.0 110.256 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.545 ' CD1' HD21 ' A' ' 33' ' ' LEU . 28.9 mt -65.66 -57.05 9.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -72.62 -33.54 66.74 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.558 1.161 . . . . 0.0 110.292 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 110.269 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.795 HG21 ' HB2' ' A' ' 9' ' ' ALA . 1.2 pp -103.08 178.79 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -119.85 -7.91 9.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.525 ' CG ' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -176.82 36.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 6' ' ' VAL . . . 58.02 67.59 2.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.555 1.16 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.594 HG23 ' N ' ' A' ' 7' ' ' ILE . 2.7 m -58.74 -157.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.757 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.769 ' O ' HD12 ' A' ' 10' ' ' ILE . 36.8 pt -101.37 -48.38 11.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.585 1.178 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.499 ' HG2' ' CG2' ' A' ' 6' ' ' VAL . 0.5 OUTLIER -56.55 -27.28 57.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.308 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.795 ' HB2' HG21 ' A' ' 2' ' ' ILE . . . -42.13 -28.52 0.19 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.122 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.769 HD12 ' O ' ' A' ' 7' ' ' ILE . 0.7 OUTLIER -48.32 -23.01 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 14' ' ' ASP . 0.5 OUTLIER -45.12 -28.23 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.333 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.423 ' HD3' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -46.93 -31.85 3.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.423 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 51.6 m -60.6 -35.46 76.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.034 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 11' ' ' GLN . 0.6 OUTLIER -69.71 -29.88 67.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -68.84 -38.82 80.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.577 ' HA3' ' CE1' ' A' ' 22' ' ' TYR . . . -83.09 49.38 4.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.524 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -73.6 -50.93 5.66 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 109.615 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 17' ' ' HIS . 18.3 Cg_endo -74.99 -89.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -173.23 -43.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 111.044 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.546 ' CD ' ' H ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -76.95 -31.61 56.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.38 -30.74 52.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.108 . . . . 0.0 109.254 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.577 ' CE1' ' HA3' ' A' ' 16' ' ' GLY . 0.4 OUTLIER -66.77 -30.46 70.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 111.049 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.87 HD12 ' C ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -52.86 -40.77 63.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.692 ' N ' HD12 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -53.57 -26.93 23.64 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 62.2 m -54.09 -19.58 5.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.056 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.422 ' O ' HG12 ' A' ' 29' ' ' ILE . 14.7 pt-20 -58.67 -27.53 64.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 110.304 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.567 HG13 ' O ' ' A' ' 24' ' ' GLU . 1.9 m -74.32 -41.1 50.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.95 -36.58 72.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.447 HG13 ' N ' ' A' ' 30' ' ' SER . 3.2 pt -79.22 -34.21 16.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.511 ' O ' HG23 ' A' ' 34' ' ' VAL . 4.4 m -54.88 -33.3 61.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -69.28 -48.25 62.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.373 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 35' ' ' GLN . 1.8 mt-10 -71.21 -37.95 72.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.543 HD21 ' N ' ' A' ' 53' ' ' ARG . 15.5 tp -47.01 -28.02 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 30' ' ' SER . 2.8 t -72.24 -47.78 51.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -58.8 -21.92 57.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.738 ' CB ' HG21 ' A' ' 49' ' ' ILE . 8.1 mmtt -57.79 -30.38 65.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.479 ' HB3' ' O ' ' A' ' 34' ' ' VAL . 3.8 p90 -41.08 -26.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 36' ' ' LYS . 0.4 OUTLIER -54.61 -35.32 63.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.123 . . . . 0.0 109.937 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.479 ' CG ' HG21 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -47.33 -29.67 2.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 109.241 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.486 ' CA ' ' HB3' ' A' ' 46' ' ' ASN . 0.6 OUTLIER -56.4 -16.56 5.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.031 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.72 -35.92 79.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.108 . . . . 0.0 109.224 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.495 HD22 ' C ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -59.61 -48.74 80.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.231 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 125.09 -0.25 8.25 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.462 1.102 . . . . 0.0 111.016 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.711 ' C ' HG12 ' A' ' 45' ' ' VAL . 1.3 t-160 -177.18 108.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 109.58 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.711 HG12 ' C ' ' A' ' 44' ' ' HIS . 0.9 OUTLIER 161.76 -43.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.486 ' HB3' ' CA ' ' A' ' 40' ' ' SER . 2.5 p-10 -56.52 -39.33 73.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.35 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.478 ' HA ' ' CG ' ' A' ' 50' ' ' LYS . 0.5 OUTLIER -57.01 -32.63 66.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 108.252 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.713 HG22 HD13 ' A' ' 49' ' ' ILE . 0.9 OUTLIER -77.25 -34.38 55.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.417 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.738 HG21 ' CB ' ' A' ' 36' ' ' LYS . 6.0 mm -76.11 -48.35 28.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.359 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.478 ' CG ' ' HA ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -53.18 -31.33 42.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.328 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.898 ' HG3' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -60.56 -32.87 71.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.393 1.058 . . . . 0.0 110.266 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.898 HD22 ' HG3' ' A' ' 51' ' ' GLU . 2.7 mm? -68.15 -59.78 2.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.543 ' N ' HD21 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -65.58 -33.2 75.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.669 HG22 ' HB3' ' A' ' 4' ' ' LYS . 4.1 mt 70.76 -58.61 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.497 ' CB ' ' O ' ' A' ' 2' ' ' ILE . 0.1 OUTLIER 73.78 8.21 4.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.669 ' HB3' HG22 ' A' ' 2' ' ' ILE . 0.0 OUTLIER -83.19 -18.12 40.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 6' ' ' VAL . . . 128.95 42.28 0.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.584 1.177 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.794 HG13 ' N ' ' A' ' 7' ' ' ILE . 1.2 p 35.88 -152.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.448 0.734 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.794 ' N ' HG13 ' A' ' 6' ' ' VAL . 1.1 pt -123.56 -44.54 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.591 1.182 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.471 ' C ' ' N ' ' A' ' 10' ' ' ILE . 1.1 pt20 -54.37 -19.39 5.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.564 ' O ' ' CG ' ' A' ' 12' ' ' LYS . . . -39.13 -29.5 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.079 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.515 ' CD1' ' O ' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -98.7 -59.78 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 14' ' ' ASP . 3.3 pt20 -46.11 -27.63 1.01 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.595 ' NZ ' ' CE1' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -46.1 -32.46 2.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.418 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -59.44 -36.37 75.78 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 0.0 109.982 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -67.96 -29.67 68.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.345 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -73.85 -34.68 64.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.165 . . . . 0.0 110.27 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 17' ' ' HIS . . . 70.43 45.62 53.3 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.595 ' CE1' ' NZ ' ' A' ' 12' ' ' LYS . 2.4 m-70 39.02 77.71 0.4 Allowed Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.43 0.723 . . . . 0.0 109.601 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.509 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 18.5 Cg_endo -74.88 -162.69 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.516 1.798 . . . . 0.0 111.044 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -138.56 -55.28 0.62 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 0.0 110.948 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.58 ' CD ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -73.83 -27.95 61.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 110.291 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.58 ' N ' ' CD ' ' A' ' 20' ' ' ARG . . . -58.16 -32.92 68.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -73.43 -36.61 65.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.989 HD13 ' N ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -55.65 -46.19 77.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.596 1.185 . . . . 0.0 109.326 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.989 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -52.47 -26.98 14.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.611 ' O ' HG23 ' A' ' 29' ' ' ILE . 15.2 m -55.03 -19.87 8.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.982 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.528 ' HG2' HD22 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -58.56 -27.96 65.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.8 t -73.87 -33.84 38.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.55 -49.07 51.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.611 HG23 ' O ' ' A' ' 25' ' ' SER . 3.3 pt -58.98 -34.09 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.758 ' O ' HG23 ' A' ' 34' ' ' VAL . 41.3 t -60.69 -51.47 69.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.017 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 32' ' ' GLU . 10.7 pt-20 -71.0 -38.84 72.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' GLN . 1.7 mt-10 -71.43 -50.89 27.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.878 HD13 ' O ' ' A' ' 33' ' ' LEU . 2.0 tm? -45.67 -25.89 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 30' ' ' SER . 11.4 t -63.39 -44.13 98.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.26 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 32' ' ' GLU . 1.2 pp0? -68.78 -25.99 64.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.426 ' C ' ' N ' ' A' ' 38' ' ' SER . 15.2 mttt -64.59 -30.77 71.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.55 ' CD1' ' N ' ' A' ' 38' ' ' SER . 0.7 OUTLIER -42.44 -25.58 0.08 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.446 1.091 . . . . 0.0 111.061 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.55 ' N ' ' CD1' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -54.94 -38.44 67.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 110.012 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.922 ' O ' HD22 ' A' ' 42' ' ' LEU . 1.2 t-20 -59.72 -29.52 68.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 p -57.52 -15.16 6.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 109.961 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.74 -36.86 77.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.255 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.922 HD22 ' O ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -55.21 -83.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.68 21.74 3.74 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 28.4 m80 66.05 68.73 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 0.79 . . . . 0.0 109.599 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.04 -17.69 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -100.98 -32.6 10.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.2 m -55.49 -31.75 62.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 108.296 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.718 HG23 HD13 ' A' ' 49' ' ' ILE . 0.8 OUTLIER -60.72 -35.18 75.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.392 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.718 HD13 HG23 ' A' ' 48' ' ' THR . 7.2 mm -76.35 -34.66 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.464 ' HD2' ' CD1' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -53.52 -33.59 55.05 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.507 ' HG2' HD12 ' A' ' 52' ' ' LEU . 4.1 pt-20 -55.64 -35.35 65.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 110.349 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.507 HD12 ' HG2' ' A' ' 51' ' ' GLU . 2.8 mp -67.35 -51.48 51.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.5 ' HG3' HD12 ' A' ' 33' ' ' LEU . 10.0 mmm180 -67.03 -33.61 75.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.269 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.366 -179.97 . . . . . . . . 1 1 . 1 stop_ save_