data_1rt0_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 1rt0 _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 ' 1' ' ' ASP . . . . . 0.492 ' OD1' ' CG ' ' A' ' 7' ' ' GLU . 1.5 p30 . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.433 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 3.1 ttpt -129.0 132.4 47.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -148.88 -61.54 0.23 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.97 -31.91 1.72 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.479 ' HA ' ' CB ' ' A' ' 9' ' ' SER . 5.7 p-10 -131.64 -44.33 0.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 0.75 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -42.74 -75.02 0.16 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' A' ' 9' ' ' SER . 3.1 mm-40 -74.77 98.29 3.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.453 0.737 . . . . 0.0 110.321 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.528 ' C ' ' O ' ' A' ' 7' ' ' GLU . 12.3 p 29.33 40.89 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 7' ' ' GLU . 2.4 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.043 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.472 ' OD1' ' CG ' ' A' ' 7' ' ' GLU . 1.4 p30 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.407 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -128.18 126.73 41.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -142.38 -60.98 0.45 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.577 1.173 . . . . 0.0 109.286 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.92 -32.03 1.71 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.48 ' HA ' ' CB ' ' A' ' 9' ' ' SER . 4.5 p-10 -131.79 -44.12 0.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 0.0 109.406 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -43.18 -74.56 0.19 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.548 1.155 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' A' ' 9' ' ' SER . 1.9 mm-40 -75.16 98.5 3.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 0.775 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.53 ' C ' ' O ' ' A' ' 7' ' ' GLU . 34.1 m 29.3 40.84 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 7' ' ' GLU . 2.5 m . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 110.027 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.486 ' OD1' ' CG ' ' A' ' 7' ' ' GLU . 1.4 p30 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.426 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 3.4 ttpt -128.63 131.78 48.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -147.96 -61.51 0.26 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.98 -31.84 1.72 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.578 1.174 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.48 ' HA ' ' CB ' ' A' ' 9' ' ' SER . 11.1 p-10 -131.83 -44.22 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -42.86 -75.12 0.16 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.523 1.14 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 9' ' ' SER . 3.2 mm-40 -74.71 98.13 3.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 0.789 . . . . 0.0 110.344 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.526 ' C ' ' O ' ' A' ' 7' ' ' GLU . 12.9 p 29.5 41.05 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.534 ' N ' ' O ' ' A' ' 7' ' ' GLU . 2.5 m . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.991 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.488 ' OD1' ' CG ' ' A' ' 7' ' ' GLU . 1.5 p30 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -128.06 129.47 46.71 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -145.44 -61.12 0.34 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.566 1.166 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.41 -31.64 1.8 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.482 ' HA ' ' CB ' ' A' ' 9' ' ' SER . 7.0 p-10 -131.88 -44.24 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -43.06 -74.79 0.17 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' A' ' 9' ' ' SER . 2.9 mm-40 -74.87 98.03 3.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 0.767 . . . . 0.0 110.25 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.526 ' C ' ' O ' ' A' ' 7' ' ' GLU . 12.6 p 29.57 40.85 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.537 ' N ' ' O ' ' A' ' 7' ' ' GLU . 2.6 m . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.457 ' OD1' ' CG ' ' A' ' 7' ' ' GLU . 1.4 p30 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -128.8 123.67 33.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -138.29 -60.77 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.86 -32.16 1.58 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.484 ' HA ' ' CB ' ' A' ' 9' ' ' SER . 14.0 p-10 -131.97 -44.01 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -43.15 -74.72 0.18 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 9' ' ' SER . 2.1 mm-40 -75.05 98.36 3.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 110.286 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.529 ' C ' ' O ' ' A' ' 7' ' ' GLU . 35.8 m 29.45 40.8 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.372 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.539 ' N ' ' O ' ' A' ' 7' ' ' GLU . 2.5 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.942 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 1' ' ' ASP . 20.5 p30 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.46 82.74 2.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -112.12 -60.96 1.79 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.131 . . . . 0.0 109.237 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.57 -57.37 0.41 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.551 1.157 . . . . 0.0 110.993 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -128.28 4.79 5.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.303 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -57.71 -85.58 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.5 ' O ' ' C ' ' A' ' 8' ' ' VAL . 2.3 mm-40 -77.12 101.73 6.25 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.518 0.775 . . . . 0.0 110.35 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.5 ' C ' ' O ' ' A' ' 7' ' ' GLU . 12.6 p 31.69 40.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 7' ' ' GLU . 1.7 m . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.411 1.069 . . . . 0.0 110.0 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.29 128.32 52.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -143.74 -60.19 0.4 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.163 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.36 -32.15 2.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.553 1.158 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.492 ' HA ' ' CB ' ' A' ' 9' ' ' SER . 5.8 p-10 -132.33 -44.41 0.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.75 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -43.49 -73.5 0.24 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.475 1.11 . . . . 0.0 110.936 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' A' ' 9' ' ' SER . 2.2 mm-40 -75.3 97.22 3.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 110.318 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.525 ' C ' ' O ' ' A' ' 7' ' ' GLU . 12.5 p 29.63 40.46 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.541 ' N ' ' O ' ' A' ' 7' ' ' GLU . 2.6 m . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.996 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 2' ' ' LYS . 1.5 p30 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.409 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 17.1 ttpt -127.12 112.75 15.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 109.383 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.19 -62.18 1.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.17 -29.38 1.8 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.535 1.147 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.401 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 11.6 p-10 -132.96 -46.04 0.86 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 0.733 . . . . 0.0 109.335 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -49.84 -71.64 0.59 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.54 ' O ' ' C ' ' A' ' 8' ' ' VAL . 2.2 mm-40 -71.86 93.74 1.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.54 ' C ' ' O ' ' A' ' 7' ' ' GLU . 14.6 p 28.93 44.64 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 7' ' ' GLU . 1.8 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.025 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -126.56 113.32 16.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.79 -61.49 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.89 -30.23 1.66 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.403 1.064 . . . . 0.0 111.032 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -133.26 -46.42 0.83 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 0.776 . . . . 0.0 109.382 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -49.2 -71.57 0.59 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.378 1.049 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.539 ' O ' ' C ' ' A' ' 8' ' ' VAL . 3.1 mm-40 -71.73 93.26 1.26 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.504 0.767 . . . . 0.0 110.267 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.539 ' C ' ' O ' ' A' ' 7' ' ' GLU . 12.4 p 29.02 44.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.133 . . . . 0.0 109.235 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 7' ' ' GLU . 1.7 m . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.971 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 2' ' ' LYS . 1.4 p30 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.44 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 15.4 ttpt -128.75 113.95 15.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -127.14 -62.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.097 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.45 -27.2 2.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.447 1.092 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 5.1 p-10 -133.11 -45.88 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.343 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -49.38 -72.11 0.52 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.54 ' O ' ' C ' ' A' ' 8' ' ' VAL . 3.8 mm-40 -72.2 94.13 1.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 0.785 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.54 ' C ' ' O ' ' A' ' 7' ' ' GLU . 19.2 m 29.01 44.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 7' ' ' GLU . 1.8 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.413 1.071 . . . . 0.0 110.024 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.492 ' OD1' ' CG ' ' A' ' 7' ' ' GLU . 1.5 p30 . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.433 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 3.1 ttpt -129.0 132.4 47.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -148.88 -61.54 0.23 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.97 -31.91 1.72 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.479 ' HA ' ' CB ' ' A' ' 9' ' ' SER . 5.7 p-10 -131.64 -44.33 0.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 0.75 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -42.74 -75.02 0.16 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' A' ' 9' ' ' SER . 3.1 mm-40 -74.77 98.29 3.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.453 0.737 . . . . 0.0 110.321 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.528 ' C ' ' O ' ' A' ' 7' ' ' GLU . 12.3 p 29.33 40.89 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 7' ' ' GLU . 2.4 m 35.57 -154.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.043 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER 57.51 40.61 26.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 111.028 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 10' ' ' PHE . 58.0 mm-40 38.51 55.91 1.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.496 ' CD ' ' CG1' ' A' ' 8' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.354 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.472 ' OD1' ' CG ' ' A' ' 7' ' ' GLU . 1.4 p30 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.407 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -128.18 126.73 41.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -142.38 -60.98 0.45 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.577 1.173 . . . . 0.0 109.286 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.92 -32.03 1.71 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.48 ' HA ' ' CB ' ' A' ' 9' ' ' SER . 4.5 p-10 -131.79 -44.12 0.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 0.0 109.406 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -43.18 -74.56 0.19 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.548 1.155 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' A' ' 9' ' ' SER . 1.9 mm-40 -75.16 98.5 3.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 0.775 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.53 ' C ' ' O ' ' A' ' 7' ' ' GLU . 34.1 m 29.3 40.84 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 7' ' ' GLU . 2.5 m 35.48 -153.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 110.027 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 56.68 40.14 29.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 38.86 56.05 1.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.357 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.497 ' CD ' ' CG2' ' A' ' 8' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.486 ' OD1' ' CG ' ' A' ' 7' ' ' GLU . 1.4 p30 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.426 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 3.4 ttpt -128.63 131.78 48.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -147.96 -61.51 0.26 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.98 -31.84 1.72 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.578 1.174 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.48 ' HA ' ' CB ' ' A' ' 9' ' ' SER . 11.1 p-10 -131.83 -44.22 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -42.86 -75.12 0.16 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.523 1.14 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 9' ' ' SER . 3.2 mm-40 -74.71 98.13 3.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 0.789 . . . . 0.0 110.344 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.526 ' C ' ' O ' ' A' ' 7' ' ' GLU . 12.9 p 29.5 41.05 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.534 ' N ' ' O ' ' A' ' 7' ' ' GLU . 2.5 m 35.56 -153.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.991 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER 57.05 40.28 28.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 10' ' ' PHE . 57.4 mm-40 38.68 56.0 1.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 110.354 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.488 ' OD1' ' CG ' ' A' ' 7' ' ' GLU . 1.5 p30 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -128.06 129.47 46.71 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -145.44 -61.12 0.34 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.566 1.166 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.41 -31.64 1.8 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.482 ' HA ' ' CB ' ' A' ' 9' ' ' SER . 7.0 p-10 -131.88 -44.24 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -43.06 -74.79 0.17 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' A' ' 9' ' ' SER . 2.9 mm-40 -74.87 98.03 3.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 0.767 . . . . 0.0 110.25 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.526 ' C ' ' O ' ' A' ' 7' ' ' GLU . 12.6 p 29.57 40.85 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.537 ' N ' ' O ' ' A' ' 7' ' ' GLU . 2.6 m 35.51 -153.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER 57.2 40.73 27.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.116 . . . . 0.0 110.955 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' PHE . 53.8 mm-40 38.39 56.18 1.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.457 ' OD1' ' CG ' ' A' ' 7' ' ' GLU . 1.4 p30 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -128.8 123.67 33.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -138.29 -60.77 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.86 -32.16 1.58 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.484 ' HA ' ' CB ' ' A' ' 9' ' ' SER . 14.0 p-10 -131.97 -44.01 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -43.15 -74.72 0.18 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 9' ' ' SER . 2.1 mm-40 -75.05 98.36 3.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 110.286 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.529 ' C ' ' O ' ' A' ' 7' ' ' GLU . 35.8 m 29.45 40.8 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.372 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.539 ' N ' ' O ' ' A' ' 7' ' ' GLU . 2.5 m 35.64 -153.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.942 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER 56.35 40.21 29.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.947 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' PHE . 58.2 mm-40 38.48 55.75 1.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.239 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.312 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 12' ' ' GLU . 20.5 p30 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.46 82.74 2.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -112.12 -60.96 1.79 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.131 . . . . 0.0 109.237 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.57 -57.37 0.41 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.551 1.157 . . . . 0.0 110.993 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -128.28 4.79 5.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.303 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -57.71 -85.58 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.5 ' O ' ' C ' ' A' ' 8' ' ' VAL . 2.3 mm-40 -77.12 101.73 6.25 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.518 0.775 . . . . 0.0 110.35 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.5 ' C ' ' O ' ' A' ' 7' ' ' GLU . 12.6 p 31.69 40.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 7' ' ' GLU . 1.7 m 39.95 -159.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.411 1.069 . . . . 0.0 110.0 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 62.25 36.99 14.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 45.47 53.53 8.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.345 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 1' ' ' ASP . 3.8 mt-10 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.245 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 12' ' ' GLU . 4.7 p-10 . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.29 128.32 52.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -143.74 -60.19 0.4 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.163 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.36 -32.15 2.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.553 1.158 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.492 ' HA ' ' CB ' ' A' ' 9' ' ' SER . 5.8 p-10 -132.33 -44.41 0.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.75 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -43.49 -73.5 0.24 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.475 1.11 . . . . 0.0 110.936 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' A' ' 9' ' ' SER . 2.2 mm-40 -75.3 97.22 3.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 110.318 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.525 ' C ' ' O ' ' A' ' 7' ' ' GLU . 12.5 p 29.63 40.46 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.541 ' N ' ' O ' ' A' ' 7' ' ' GLU . 2.6 m 34.99 -153.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.996 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.416 ' O ' ' C ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER 56.73 42.65 26.5 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 110.956 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER 37.38 58.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.492 ' CD ' ' CG1' ' A' ' 8' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.358 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 12' ' ' GLU . 1.5 p30 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.409 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 17.1 ttpt -127.12 112.75 15.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 109.383 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.19 -62.18 1.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.17 -29.38 1.8 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.535 1.147 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.401 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 11.6 p-10 -132.96 -46.04 0.86 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 0.733 . . . . 0.0 109.335 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -49.84 -71.64 0.59 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.54 ' O ' ' C ' ' A' ' 8' ' ' VAL . 2.2 mm-40 -71.86 93.74 1.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.54 ' C ' ' O ' ' A' ' 7' ' ' GLU . 14.6 p 28.93 44.64 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 7' ' ' GLU . 1.8 m 42.93 -157.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.025 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 58.61 -160.76 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.947 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -99.85 58.99 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.346 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.466 ' OE2' ' CG1' ' A' ' 8' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.368 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 12' ' ' GLU . 1.5 p30 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -126.56 113.32 16.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.79 -61.49 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.89 -30.23 1.66 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.403 1.064 . . . . 0.0 111.032 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -133.26 -46.42 0.83 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 0.776 . . . . 0.0 109.382 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -49.2 -71.57 0.59 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.378 1.049 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.539 ' O ' ' C ' ' A' ' 8' ' ' VAL . 3.1 mm-40 -71.73 93.26 1.26 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.504 0.767 . . . . 0.0 110.267 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.539 ' C ' ' O ' ' A' ' 7' ' ' GLU . 12.4 p 29.02 44.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.133 . . . . 0.0 109.235 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 7' ' ' GLU . 1.7 m 42.59 -157.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.971 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 57.85 -160.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 111.02 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -99.63 59.49 1.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.364 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.448 ' HG3' ' CG1' ' A' ' 8' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 2' ' ' LYS . 1.4 p30 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.44 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 15.4 ttpt -128.75 113.95 15.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -127.14 -62.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.097 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.45 -27.2 2.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.447 1.092 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 5.1 p-10 -133.11 -45.88 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.343 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -49.38 -72.11 0.52 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.54 ' O ' ' C ' ' A' ' 8' ' ' VAL . 3.8 mm-40 -72.2 94.13 1.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 0.785 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.54 ' C ' ' O ' ' A' ' 7' ' ' GLU . 19.2 m 29.01 44.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 7' ' ' GLU . 1.8 m 43.12 -155.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.413 1.071 . . . . 0.0 110.024 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 55.02 -159.85 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.401 1.063 . . . . 0.0 111.051 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -99.17 56.62 1.04 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.484 ' CD ' ' CG2' ' A' ' 8' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.253 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.492 ' OD1' ' CG ' ' A' ' 7' ' ' GLU . 1.5 p30 . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.433 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 3.1 ttpt -129.0 132.4 47.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -148.88 -61.54 0.23 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 9' ' ' SER . . . 144.97 -31.91 1.72 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.482 ' HA ' ' CB ' ' A' ' 9' ' ' SER . 5.7 p-10 -131.64 -44.33 0.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 0.75 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -42.74 -75.02 0.16 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' A' ' 9' ' ' SER . 3.1 mm-40 -74.77 98.29 3.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.453 0.737 . . . . 0.0 110.321 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.528 ' C ' ' O ' ' A' ' 7' ' ' GLU . 12.3 p 29.33 40.89 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 7' ' ' GLU . 2.4 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.043 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.472 ' OD1' ' CG ' ' A' ' 7' ' ' GLU . 1.4 p30 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.407 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -128.18 126.73 41.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -142.38 -60.98 0.45 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.577 1.173 . . . . 0.0 109.286 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 9' ' ' SER . . . 144.92 -32.03 1.71 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.482 ' HA ' ' CB ' ' A' ' 9' ' ' SER . 4.5 p-10 -131.79 -44.12 0.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 0.0 109.406 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -43.18 -74.56 0.19 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.548 1.155 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' A' ' 9' ' ' SER . 1.9 mm-40 -75.16 98.5 3.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 0.775 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.53 ' C ' ' O ' ' A' ' 7' ' ' GLU . 34.1 m 29.3 40.84 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 7' ' ' GLU . 2.5 m . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 110.027 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.486 ' OD1' ' CG ' ' A' ' 7' ' ' GLU . 1.4 p30 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.426 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 3.4 ttpt -128.63 131.78 48.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -147.96 -61.51 0.26 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 9' ' ' SER . . . 144.98 -31.84 1.72 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.578 1.174 . . . . 0.0 110.967 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.483 ' HA ' ' CB ' ' A' ' 9' ' ' SER . 11.1 p-10 -131.83 -44.22 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -42.86 -75.12 0.16 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.523 1.14 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 9' ' ' SER . 3.2 mm-40 -74.71 98.13 3.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 0.789 . . . . 0.0 110.344 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.526 ' C ' ' O ' ' A' ' 7' ' ' GLU . 12.9 p 29.5 41.05 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.534 ' N ' ' O ' ' A' ' 7' ' ' GLU . 2.5 m . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.991 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.488 ' OD1' ' CG ' ' A' ' 7' ' ' GLU . 1.5 p30 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -128.06 129.47 46.71 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -145.44 -61.12 0.34 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.566 1.166 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 9' ' ' SER . . . 144.41 -31.64 1.8 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.485 ' HA ' ' CB ' ' A' ' 9' ' ' SER . 7.0 p-10 -131.88 -44.24 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -43.06 -74.79 0.17 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' A' ' 9' ' ' SER . 2.9 mm-40 -74.87 98.03 3.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 0.767 . . . . 0.0 110.25 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.526 ' C ' ' O ' ' A' ' 7' ' ' GLU . 12.6 p 29.57 40.85 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.537 ' N ' ' O ' ' A' ' 7' ' ' GLU . 2.6 m . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.457 ' OD1' ' CG ' ' A' ' 7' ' ' GLU . 1.4 p30 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -128.8 123.67 33.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -138.29 -60.77 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 9' ' ' SER . . . 145.86 -32.16 1.58 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.485 ' HA ' ' CB ' ' A' ' 9' ' ' SER . 14.0 p-10 -131.97 -44.01 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -43.15 -74.72 0.18 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 9' ' ' SER . 2.1 mm-40 -75.05 98.36 3.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 110.286 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.529 ' C ' ' O ' ' A' ' 7' ' ' GLU . 35.8 m 29.45 40.8 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.372 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.539 ' N ' ' O ' ' A' ' 7' ' ' GLU . 2.5 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.942 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 1' ' ' ASP . 20.5 p30 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.46 82.74 2.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -112.12 -60.96 1.79 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.131 . . . . 0.0 109.237 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.57 -57.37 0.41 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.551 1.157 . . . . 0.0 110.993 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -128.28 4.79 5.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.303 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -57.71 -85.58 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.5 ' O ' ' C ' ' A' ' 8' ' ' VAL . 2.3 mm-40 -77.12 101.73 6.25 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.518 0.775 . . . . 0.0 110.35 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.5 ' C ' ' O ' ' A' ' 7' ' ' GLU . 12.6 p 31.69 40.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 7' ' ' GLU . 1.7 m . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.411 1.069 . . . . 0.0 110.0 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.29 128.32 52.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -143.74 -60.19 0.4 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.163 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.419 ' O ' ' HA ' ' A' ' 9' ' ' SER . . . 140.36 -32.15 2.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.553 1.158 . . . . 0.0 110.934 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.495 ' HA ' ' CB ' ' A' ' 9' ' ' SER . 5.8 p-10 -132.33 -44.41 0.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.75 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -43.49 -73.5 0.24 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.475 1.11 . . . . 0.0 110.936 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' A' ' 9' ' ' SER . 2.2 mm-40 -75.3 97.22 3.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 110.318 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.525 ' C ' ' O ' ' A' ' 7' ' ' GLU . 12.5 p 29.63 40.46 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.541 ' N ' ' O ' ' A' ' 7' ' ' GLU . 2.6 m . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.996 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 2' ' ' LYS . 1.5 p30 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.409 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 17.1 ttpt -127.12 112.75 15.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 109.383 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.19 -62.18 1.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.429 ' O ' ' HA ' ' A' ' 9' ' ' SER . . . 145.17 -29.38 1.8 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.535 1.147 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -132.96 -46.04 0.86 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 0.733 . . . . 0.0 109.335 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -49.84 -71.64 0.59 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.54 ' O ' ' C ' ' A' ' 8' ' ' VAL . 2.2 mm-40 -71.86 93.74 1.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.54 ' C ' ' O ' ' A' ' 7' ' ' GLU . 14.6 p 28.93 44.64 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 7' ' ' GLU . 1.8 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.025 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -126.56 113.32 16.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.79 -61.49 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 9' ' ' SER . . . 145.89 -30.23 1.66 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.403 1.064 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -133.26 -46.42 0.83 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 0.776 . . . . 0.0 109.382 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -49.2 -71.57 0.59 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.378 1.049 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.539 ' O ' ' C ' ' A' ' 8' ' ' VAL . 3.1 mm-40 -71.73 93.26 1.26 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.504 0.767 . . . . 0.0 110.267 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.539 ' C ' ' O ' ' A' ' 7' ' ' GLU . 12.4 p 29.02 44.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.133 . . . . 0.0 109.235 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 7' ' ' GLU . 1.7 m . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.971 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 2' ' ' LYS . 1.4 p30 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.44 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 15.4 ttpt -128.75 113.95 15.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -127.14 -62.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.097 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.431 ' O ' ' HA ' ' A' ' 9' ' ' SER . . . 142.45 -27.2 2.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.447 1.092 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -133.11 -45.88 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.343 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -49.38 -72.11 0.52 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.54 ' O ' ' C ' ' A' ' 8' ' ' VAL . 3.8 mm-40 -72.2 94.13 1.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 0.785 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.54 ' C ' ' O ' ' A' ' 7' ' ' GLU . 19.2 m 29.01 44.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 7' ' ' GLU . 1.8 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.413 1.071 . . . . 0.0 110.024 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.492 ' OD1' ' CG ' ' A' ' 7' ' ' GLU . 1.5 p30 . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.433 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 3.1 ttpt -129.0 132.4 47.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -148.88 -61.54 0.23 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 9' ' ' SER . . . 144.97 -31.91 1.72 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.482 ' HA ' ' CB ' ' A' ' 9' ' ' SER . 5.7 p-10 -131.64 -44.33 0.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 0.75 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -42.74 -75.02 0.16 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' A' ' 9' ' ' SER . 3.1 mm-40 -74.77 98.29 3.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.453 0.737 . . . . 0.0 110.321 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.528 ' C ' ' O ' ' A' ' 7' ' ' GLU . 12.3 p 29.33 40.89 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 7' ' ' GLU . 2.4 m 35.57 -154.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.043 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER 57.51 40.61 26.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 111.028 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 10' ' ' PHE . 58.0 mm-40 38.51 55.91 1.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.496 ' CD ' ' CG1' ' A' ' 8' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.354 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.472 ' OD1' ' CG ' ' A' ' 7' ' ' GLU . 1.4 p30 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.407 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -128.18 126.73 41.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -142.38 -60.98 0.45 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.577 1.173 . . . . 0.0 109.286 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 9' ' ' SER . . . 144.92 -32.03 1.71 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.482 ' HA ' ' CB ' ' A' ' 9' ' ' SER . 4.5 p-10 -131.79 -44.12 0.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 0.0 109.406 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -43.18 -74.56 0.19 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.548 1.155 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' A' ' 9' ' ' SER . 1.9 mm-40 -75.16 98.5 3.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 0.775 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.53 ' C ' ' O ' ' A' ' 7' ' ' GLU . 34.1 m 29.3 40.84 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 7' ' ' GLU . 2.5 m 35.48 -153.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 110.027 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 56.68 40.14 29.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 38.86 56.05 1.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.357 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.497 ' CD ' ' CG2' ' A' ' 8' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.486 ' OD1' ' CG ' ' A' ' 7' ' ' GLU . 1.4 p30 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.426 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 3.4 ttpt -128.63 131.78 48.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -147.96 -61.51 0.26 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 9' ' ' SER . . . 144.98 -31.84 1.72 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.578 1.174 . . . . 0.0 110.967 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.483 ' HA ' ' CB ' ' A' ' 9' ' ' SER . 11.1 p-10 -131.83 -44.22 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -42.86 -75.12 0.16 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.523 1.14 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 9' ' ' SER . 3.2 mm-40 -74.71 98.13 3.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 0.789 . . . . 0.0 110.344 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.556 HG13 ' CD ' ' A' ' 12' ' ' GLU . 12.9 p 29.5 41.05 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.534 ' N ' ' O ' ' A' ' 7' ' ' GLU . 2.5 m 35.56 -153.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.991 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER 57.05 40.28 28.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 10' ' ' PHE . 57.4 mm-40 38.68 56.0 1.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.556 ' CD ' HG13 ' A' ' 8' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 110.354 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.488 ' OD1' ' CG ' ' A' ' 7' ' ' GLU . 1.5 p30 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -128.06 129.47 46.71 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -145.44 -61.12 0.34 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.566 1.166 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 9' ' ' SER . . . 144.41 -31.64 1.8 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.485 ' HA ' ' CB ' ' A' ' 9' ' ' SER . 7.0 p-10 -131.88 -44.24 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -43.06 -74.79 0.17 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' A' ' 9' ' ' SER . 2.9 mm-40 -74.87 98.03 3.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 0.767 . . . . 0.0 110.25 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.526 ' C ' ' O ' ' A' ' 7' ' ' GLU . 12.6 p 29.57 40.85 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.537 ' N ' ' O ' ' A' ' 7' ' ' GLU . 2.6 m 35.51 -153.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER 57.2 40.73 27.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.116 . . . . 0.0 110.955 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' PHE . 53.8 mm-40 38.39 56.18 1.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.518 ' CD ' HG13 ' A' ' 8' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.457 ' OD1' ' CG ' ' A' ' 7' ' ' GLU . 1.4 p30 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -128.8 123.67 33.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -138.29 -60.77 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 9' ' ' SER . . . 145.86 -32.16 1.58 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.485 ' HA ' ' CB ' ' A' ' 9' ' ' SER . 14.0 p-10 -131.97 -44.01 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -43.15 -74.72 0.18 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 9' ' ' SER . 2.1 mm-40 -75.05 98.36 3.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 110.286 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.617 HG23 ' CD ' ' A' ' 12' ' ' GLU . 35.8 m 29.45 40.8 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.372 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.539 ' N ' ' O ' ' A' ' 7' ' ' GLU . 2.5 m 35.64 -153.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.942 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER 56.35 40.21 29.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.947 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' PHE . 58.2 mm-40 38.48 55.75 1.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.239 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.617 ' CD ' HG23 ' A' ' 8' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.312 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 12' ' ' GLU . 20.5 p30 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.46 82.74 2.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -112.12 -60.96 1.79 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.131 . . . . 0.0 109.237 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.57 -57.37 0.41 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.551 1.157 . . . . 0.0 110.993 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -128.28 4.79 5.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.303 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -57.71 -85.58 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.5 ' O ' ' C ' ' A' ' 8' ' ' VAL . 2.3 mm-40 -77.12 101.73 6.25 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.518 0.775 . . . . 0.0 110.35 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.5 ' C ' ' O ' ' A' ' 7' ' ' GLU . 12.6 p 31.69 40.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 7' ' ' GLU . 1.7 m 39.95 -159.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.411 1.069 . . . . 0.0 110.0 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 62.25 36.99 14.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 45.47 53.53 8.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.345 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 1' ' ' ASP . 3.8 mt-10 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.245 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 12' ' ' GLU . 4.7 p-10 . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.29 128.32 52.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -143.74 -60.19 0.4 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.163 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.419 ' O ' ' HA ' ' A' ' 9' ' ' SER . . . 140.36 -32.15 2.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.553 1.158 . . . . 0.0 110.934 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.495 ' HA ' ' CB ' ' A' ' 9' ' ' SER . 5.8 p-10 -132.33 -44.41 0.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.75 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -43.49 -73.5 0.24 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.475 1.11 . . . . 0.0 110.936 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' A' ' 9' ' ' SER . 2.2 mm-40 -75.3 97.22 3.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 110.318 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.525 ' C ' ' O ' ' A' ' 7' ' ' GLU . 12.5 p 29.63 40.46 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.541 ' N ' ' O ' ' A' ' 7' ' ' GLU . 2.6 m 34.99 -153.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.996 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.416 ' O ' ' C ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER 56.73 42.65 26.5 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 110.956 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER 37.38 58.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.492 ' CD ' ' CG1' ' A' ' 8' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.358 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 12' ' ' GLU . 1.5 p30 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.409 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 17.1 ttpt -127.12 112.75 15.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 109.383 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.19 -62.18 1.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.429 ' O ' ' HA ' ' A' ' 9' ' ' SER . . . 145.17 -29.38 1.8 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.535 1.147 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -132.96 -46.04 0.86 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 0.733 . . . . 0.0 109.335 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -49.84 -71.64 0.59 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.54 ' O ' ' C ' ' A' ' 8' ' ' VAL . 2.2 mm-40 -71.86 93.74 1.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.54 ' C ' ' O ' ' A' ' 7' ' ' GLU . 14.6 p 28.93 44.64 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 7' ' ' GLU . 1.8 m 42.93 -157.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.025 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 58.61 -160.76 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.947 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -99.85 58.99 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.346 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.466 ' OE2' ' CG1' ' A' ' 8' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.368 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 12' ' ' GLU . 1.5 p30 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -126.56 113.32 16.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.79 -61.49 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 9' ' ' SER . . . 145.89 -30.23 1.66 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.403 1.064 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -133.26 -46.42 0.83 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 0.776 . . . . 0.0 109.382 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -49.2 -71.57 0.59 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.378 1.049 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.539 ' O ' ' C ' ' A' ' 8' ' ' VAL . 3.1 mm-40 -71.73 93.26 1.26 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.504 0.767 . . . . 0.0 110.267 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.539 ' C ' ' O ' ' A' ' 7' ' ' GLU . 12.4 p 29.02 44.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.133 . . . . 0.0 109.235 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 7' ' ' GLU . 1.7 m 42.59 -157.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.971 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 57.85 -160.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 111.02 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -99.63 59.49 1.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.364 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.448 ' HG3' ' CG1' ' A' ' 8' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 2' ' ' LYS . 1.4 p30 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.44 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 15.4 ttpt -128.75 113.95 15.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -127.14 -62.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.097 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.431 ' O ' ' HA ' ' A' ' 9' ' ' SER . . . 142.45 -27.2 2.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.447 1.092 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -133.11 -45.88 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.343 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -49.38 -72.11 0.52 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.54 ' O ' ' C ' ' A' ' 8' ' ' VAL . 3.8 mm-40 -72.2 94.13 1.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 0.785 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.621 HG22 ' CD ' ' A' ' 12' ' ' GLU . 19.2 m 29.01 44.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 7' ' ' GLU . 1.8 m 43.12 -155.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.413 1.071 . . . . 0.0 110.024 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 55.02 -159.85 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.401 1.063 . . . . 0.0 111.051 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -99.17 56.62 1.04 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.621 ' CD ' HG22 ' A' ' 8' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.253 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.492 ' OD1' ' CG ' ' A' ' 7' ' ' GLU . 1.5 p30 . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.433 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 3.1 ttpt -129.0 132.4 47.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -148.88 -61.54 0.23 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 9' ' ' SER . . . 144.97 -31.91 1.72 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.482 ' HA ' ' CB ' ' A' ' 9' ' ' SER . 5.7 p-10 -131.64 -44.33 0.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 0.75 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -42.74 -75.02 0.16 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' A' ' 9' ' ' SER . 3.1 mm-40 -74.77 98.29 3.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.453 0.737 . . . . 0.0 110.321 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.528 ' C ' ' O ' ' A' ' 7' ' ' GLU . 12.3 p 29.33 40.89 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 7' ' ' GLU . 2.4 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.043 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.472 ' OD1' ' CG ' ' A' ' 7' ' ' GLU . 1.4 p30 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.407 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -128.18 126.73 41.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -142.38 -60.98 0.45 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.577 1.173 . . . . 0.0 109.286 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 9' ' ' SER . . . 144.92 -32.03 1.71 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.482 ' HA ' ' CB ' ' A' ' 9' ' ' SER . 4.5 p-10 -131.79 -44.12 0.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 0.0 109.406 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -43.18 -74.56 0.19 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.548 1.155 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' A' ' 9' ' ' SER . 1.9 mm-40 -75.16 98.5 3.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 0.775 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.53 ' C ' ' O ' ' A' ' 7' ' ' GLU . 34.1 m 29.3 40.84 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 7' ' ' GLU . 2.5 m . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 110.027 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.486 ' OD1' ' CG ' ' A' ' 7' ' ' GLU . 1.4 p30 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.426 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 3.4 ttpt -128.63 131.78 48.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -147.96 -61.51 0.26 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 9' ' ' SER . . . 144.98 -31.84 1.72 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.578 1.174 . . . . 0.0 110.967 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.483 ' HA ' ' CB ' ' A' ' 9' ' ' SER . 11.1 p-10 -131.83 -44.22 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -42.86 -75.12 0.16 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.523 1.14 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 9' ' ' SER . 3.2 mm-40 -74.71 98.13 3.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 0.789 . . . . 0.0 110.344 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.526 ' C ' ' O ' ' A' ' 7' ' ' GLU . 12.9 p 29.5 41.05 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.534 ' N ' ' O ' ' A' ' 7' ' ' GLU . 2.5 m . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.991 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.488 ' OD1' ' CG ' ' A' ' 7' ' ' GLU . 1.5 p30 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -128.06 129.47 46.71 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -145.44 -61.12 0.34 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.566 1.166 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 9' ' ' SER . . . 144.41 -31.64 1.8 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.485 ' HA ' ' CB ' ' A' ' 9' ' ' SER . 7.0 p-10 -131.88 -44.24 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -43.06 -74.79 0.17 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' A' ' 9' ' ' SER . 2.9 mm-40 -74.87 98.03 3.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 0.767 . . . . 0.0 110.25 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.526 ' C ' ' O ' ' A' ' 7' ' ' GLU . 12.6 p 29.57 40.85 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.537 ' N ' ' O ' ' A' ' 7' ' ' GLU . 2.6 m . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.457 ' OD1' ' CG ' ' A' ' 7' ' ' GLU . 1.4 p30 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -128.8 123.67 33.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -138.29 -60.77 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 9' ' ' SER . . . 145.86 -32.16 1.58 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.485 ' HA ' ' CB ' ' A' ' 9' ' ' SER . 14.0 p-10 -131.97 -44.01 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -43.15 -74.72 0.18 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 9' ' ' SER . 2.1 mm-40 -75.05 98.36 3.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 110.286 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.529 ' C ' ' O ' ' A' ' 7' ' ' GLU . 35.8 m 29.45 40.8 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.372 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.539 ' N ' ' O ' ' A' ' 7' ' ' GLU . 2.5 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.942 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 1' ' ' ASP . 20.5 p30 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.46 82.74 2.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -112.12 -60.96 1.79 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.131 . . . . 0.0 109.237 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.57 -57.37 0.41 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.551 1.157 . . . . 0.0 110.993 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -128.28 4.79 5.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.303 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -57.71 -85.58 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.5 ' O ' ' C ' ' A' ' 8' ' ' VAL . 2.3 mm-40 -77.12 101.73 6.25 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.518 0.775 . . . . 0.0 110.35 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.5 ' C ' ' O ' ' A' ' 7' ' ' GLU . 12.6 p 31.69 40.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 7' ' ' GLU . 1.7 m . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.411 1.069 . . . . 0.0 110.0 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.29 128.32 52.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -143.74 -60.19 0.4 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.163 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.419 ' O ' ' HA ' ' A' ' 9' ' ' SER . . . 140.36 -32.15 2.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.553 1.158 . . . . 0.0 110.934 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.495 ' HA ' ' CB ' ' A' ' 9' ' ' SER . 5.8 p-10 -132.33 -44.41 0.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.75 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -43.49 -73.5 0.24 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.475 1.11 . . . . 0.0 110.936 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' A' ' 9' ' ' SER . 2.2 mm-40 -75.3 97.22 3.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 110.318 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.525 ' C ' ' O ' ' A' ' 7' ' ' GLU . 12.5 p 29.63 40.46 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.541 ' N ' ' O ' ' A' ' 7' ' ' GLU . 2.6 m . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.996 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 2' ' ' LYS . 1.5 p30 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.409 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 17.1 ttpt -127.12 112.75 15.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 109.383 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.19 -62.18 1.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.429 ' O ' ' HA ' ' A' ' 9' ' ' SER . . . 145.17 -29.38 1.8 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.535 1.147 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -132.96 -46.04 0.86 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 0.733 . . . . 0.0 109.335 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -49.84 -71.64 0.59 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.54 ' O ' ' C ' ' A' ' 8' ' ' VAL . 2.2 mm-40 -71.86 93.74 1.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.54 ' C ' ' O ' ' A' ' 7' ' ' GLU . 14.6 p 28.93 44.64 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 7' ' ' GLU . 1.8 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.025 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -126.56 113.32 16.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.79 -61.49 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 9' ' ' SER . . . 145.89 -30.23 1.66 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.403 1.064 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -133.26 -46.42 0.83 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 0.776 . . . . 0.0 109.382 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -49.2 -71.57 0.59 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.378 1.049 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.539 ' O ' ' C ' ' A' ' 8' ' ' VAL . 3.1 mm-40 -71.73 93.26 1.26 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.504 0.767 . . . . 0.0 110.267 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.539 ' C ' ' O ' ' A' ' 7' ' ' GLU . 12.4 p 29.02 44.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.133 . . . . 0.0 109.235 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 7' ' ' GLU . 1.7 m . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.971 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 2' ' ' LYS . 1.4 p30 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.44 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 15.4 ttpt -128.75 113.95 15.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -127.14 -62.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.097 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.431 ' O ' ' HA ' ' A' ' 9' ' ' SER . . . 142.45 -27.2 2.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.447 1.092 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -133.11 -45.88 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.343 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -49.38 -72.11 0.52 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.54 ' O ' ' C ' ' A' ' 8' ' ' VAL . 3.8 mm-40 -72.2 94.13 1.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 0.785 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.54 ' C ' ' O ' ' A' ' 7' ' ' GLU . 19.2 m 29.01 44.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 7' ' ' GLU . 1.8 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.413 1.071 . . . . 0.0 110.024 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.492 ' OD1' ' CG ' ' A' ' 7' ' ' GLU . 1.5 p30 . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.433 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 3.1 ttpt -129.0 132.4 47.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -148.88 -61.54 0.23 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 9' ' ' SER . . . 144.97 -31.91 1.72 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.482 ' HA ' ' CB ' ' A' ' 9' ' ' SER . 5.7 p-10 -131.64 -44.33 0.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 0.75 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -42.74 -75.02 0.16 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' A' ' 9' ' ' SER . 3.1 mm-40 -74.77 98.29 3.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.453 0.737 . . . . 0.0 110.321 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.528 ' C ' ' O ' ' A' ' 7' ' ' GLU . 12.3 p 29.33 40.89 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 7' ' ' GLU . 2.4 m 35.57 -154.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.043 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER 57.51 40.61 26.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 111.028 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 10' ' ' PHE . 58.0 mm-40 38.51 55.91 1.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.496 ' CD ' ' CG1' ' A' ' 8' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.354 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.472 ' OD1' ' CG ' ' A' ' 7' ' ' GLU . 1.4 p30 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.407 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -128.18 126.73 41.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -142.38 -60.98 0.45 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.577 1.173 . . . . 0.0 109.286 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 9' ' ' SER . . . 144.92 -32.03 1.71 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.482 ' HA ' ' CB ' ' A' ' 9' ' ' SER . 4.5 p-10 -131.79 -44.12 0.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 0.0 109.406 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -43.18 -74.56 0.19 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.548 1.155 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' A' ' 9' ' ' SER . 1.9 mm-40 -75.16 98.5 3.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 0.775 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.53 ' C ' ' O ' ' A' ' 7' ' ' GLU . 34.1 m 29.3 40.84 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 7' ' ' GLU . 2.5 m 35.48 -153.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 110.027 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 56.68 40.14 29.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 38.86 56.05 1.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.357 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.497 ' CD ' ' CG2' ' A' ' 8' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.486 ' OD1' ' CG ' ' A' ' 7' ' ' GLU . 1.4 p30 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.426 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 3.4 ttpt -128.63 131.78 48.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -147.96 -61.51 0.26 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 9' ' ' SER . . . 144.98 -31.84 1.72 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.578 1.174 . . . . 0.0 110.967 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.483 ' HA ' ' CB ' ' A' ' 9' ' ' SER . 11.1 p-10 -131.83 -44.22 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -42.86 -75.12 0.16 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.523 1.14 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 9' ' ' SER . 3.2 mm-40 -74.71 98.13 3.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 0.789 . . . . 0.0 110.344 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.556 HG13 ' CD ' ' A' ' 12' ' ' GLU . 12.9 p 29.5 41.05 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.534 ' N ' ' O ' ' A' ' 7' ' ' GLU . 2.5 m 35.56 -153.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.991 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER 57.05 40.28 28.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 10' ' ' PHE . 57.4 mm-40 38.68 56.0 1.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.556 ' CD ' HG13 ' A' ' 8' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 110.354 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.488 ' OD1' ' CG ' ' A' ' 7' ' ' GLU . 1.5 p30 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -128.06 129.47 46.71 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -145.44 -61.12 0.34 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.566 1.166 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 9' ' ' SER . . . 144.41 -31.64 1.8 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.485 ' HA ' ' CB ' ' A' ' 9' ' ' SER . 7.0 p-10 -131.88 -44.24 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -43.06 -74.79 0.17 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' A' ' 9' ' ' SER . 2.9 mm-40 -74.87 98.03 3.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 0.767 . . . . 0.0 110.25 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.526 ' C ' ' O ' ' A' ' 7' ' ' GLU . 12.6 p 29.57 40.85 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.537 ' N ' ' O ' ' A' ' 7' ' ' GLU . 2.6 m 35.51 -153.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER 57.2 40.73 27.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.116 . . . . 0.0 110.955 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' PHE . 53.8 mm-40 38.39 56.18 1.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.518 ' CD ' HG13 ' A' ' 8' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.457 ' OD1' ' CG ' ' A' ' 7' ' ' GLU . 1.4 p30 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -128.8 123.67 33.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -138.29 -60.77 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 9' ' ' SER . . . 145.86 -32.16 1.58 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.485 ' HA ' ' CB ' ' A' ' 9' ' ' SER . 14.0 p-10 -131.97 -44.01 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -43.15 -74.72 0.18 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 9' ' ' SER . 2.1 mm-40 -75.05 98.36 3.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 110.286 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.617 HG23 ' CD ' ' A' ' 12' ' ' GLU . 35.8 m 29.45 40.8 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.372 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.539 ' N ' ' O ' ' A' ' 7' ' ' GLU . 2.5 m 35.64 -153.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.942 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER 56.35 40.21 29.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.947 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' PHE . 58.2 mm-40 38.48 55.75 1.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.239 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.617 ' CD ' HG23 ' A' ' 8' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.312 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 12' ' ' GLU . 20.5 p30 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.46 82.74 2.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -112.12 -60.96 1.79 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.131 . . . . 0.0 109.237 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.57 -57.37 0.41 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.551 1.157 . . . . 0.0 110.993 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -128.28 4.79 5.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 109.303 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -57.71 -85.58 0.03 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.5 ' O ' ' C ' ' A' ' 8' ' ' VAL . 2.3 mm-40 -77.12 101.73 6.25 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.518 0.775 . . . . 0.0 110.35 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.5 ' C ' ' O ' ' A' ' 7' ' ' GLU . 12.6 p 31.69 40.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 7' ' ' GLU . 1.7 m 39.95 -159.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.411 1.069 . . . . 0.0 110.0 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 62.25 36.99 14.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 45.47 53.53 8.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.345 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 1' ' ' ASP . 3.8 mt-10 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.245 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 12' ' ' GLU . 4.7 p-10 . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.29 128.32 52.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -143.74 -60.19 0.4 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.163 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.419 ' O ' ' HA ' ' A' ' 9' ' ' SER . . . 140.36 -32.15 2.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.553 1.158 . . . . 0.0 110.934 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.495 ' HA ' ' CB ' ' A' ' 9' ' ' SER . 5.8 p-10 -132.33 -44.41 0.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.75 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -43.49 -73.5 0.24 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.475 1.11 . . . . 0.0 110.936 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' A' ' 9' ' ' SER . 2.2 mm-40 -75.3 97.22 3.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 110.318 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.525 ' C ' ' O ' ' A' ' 7' ' ' GLU . 12.5 p 29.63 40.46 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.541 ' N ' ' O ' ' A' ' 7' ' ' GLU . 2.6 m 34.99 -153.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.996 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.416 ' O ' ' C ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER 56.73 42.65 26.5 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 110.956 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER 37.38 58.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.492 ' CD ' ' CG1' ' A' ' 8' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.358 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 12' ' ' GLU . 1.5 p30 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.409 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 17.1 ttpt -127.12 112.75 15.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 109.383 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.19 -62.18 1.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.429 ' O ' ' HA ' ' A' ' 9' ' ' SER . . . 145.17 -29.38 1.8 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.535 1.147 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -132.96 -46.04 0.86 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 0.733 . . . . 0.0 109.335 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -49.84 -71.64 0.59 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.54 ' O ' ' C ' ' A' ' 8' ' ' VAL . 2.2 mm-40 -71.86 93.74 1.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.54 ' C ' ' O ' ' A' ' 7' ' ' GLU . 14.6 p 28.93 44.64 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 7' ' ' GLU . 1.8 m 42.93 -157.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.025 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 58.61 -160.76 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.947 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -99.85 58.99 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.346 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.466 ' OE2' ' CG1' ' A' ' 8' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.368 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 12' ' ' GLU . 1.5 p30 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -126.56 113.32 16.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.79 -61.49 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 9' ' ' SER . . . 145.89 -30.23 1.66 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.403 1.064 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -133.26 -46.42 0.83 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 0.776 . . . . 0.0 109.382 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -49.2 -71.57 0.59 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.378 1.049 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.539 ' O ' ' C ' ' A' ' 8' ' ' VAL . 3.1 mm-40 -71.73 93.26 1.26 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.504 0.767 . . . . 0.0 110.267 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.539 ' C ' ' O ' ' A' ' 7' ' ' GLU . 12.4 p 29.02 44.45 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.133 . . . . 0.0 109.235 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 7' ' ' GLU . 1.7 m 42.59 -157.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.971 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 57.85 -160.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 111.02 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -99.63 59.49 1.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.364 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.448 ' HG3' ' CG1' ' A' ' 8' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 2' ' ' LYS . 1.4 p30 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.44 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 15.4 ttpt -128.75 113.95 15.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -127.14 -62.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.097 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.431 ' O ' ' HA ' ' A' ' 9' ' ' SER . . . 142.45 -27.2 2.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.447 1.092 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -133.11 -45.88 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.343 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -49.38 -72.11 0.52 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.54 ' O ' ' C ' ' A' ' 8' ' ' VAL . 3.8 mm-40 -72.2 94.13 1.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 0.785 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.621 HG22 ' CD ' ' A' ' 12' ' ' GLU . 19.2 m 29.01 44.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 7' ' ' GLU . 1.8 m 43.12 -155.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.413 1.071 . . . . 0.0 110.024 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 55.02 -159.85 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.401 1.063 . . . . 0.0 111.051 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -99.17 56.62 1.04 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.621 ' CD ' HG22 ' A' ' 8' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.253 -179.97 . . . . . . . . 2 2 . 1 stop_ save_