data_2rlw_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 2rlw _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 14' ' ' TYR . . . . . 0.607 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.515 0.198 . . . . 73.54 111.025 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.495 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.08 -18.82 16.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 71.42 109.299 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.52 -50.97 18.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 73.45 110.007 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.504 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.9 -13.29 44.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 75.24 109.273 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.527 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.0 t -77.47 -30.95 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 74.21 109.351 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.82 -57.64 17.06 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 72.32 111.0 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.622 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.4 Cg_endo -74.97 -25.42 11.95 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.515 1.797 . . . . 74.44 110.996 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.24 -24.85 12.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 74.24 109.331 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.7 OUTLIER -71.1 -34.22 70.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 74.43 109.321 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.622 ' CD1' ' O ' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -72.23 -51.21 22.03 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.975 -1.12 . . . . 73.12 107.975 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.61 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -56.65 -51.66 63.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 73.2 109.326 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.493 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -64.8 -33.38 63.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 72.35 109.331 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 6.7 t -67.61 -36.94 81.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 75.53 109.976 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.59 -32.05 69.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 73.34 109.292 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.9 t . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 72.25 109.338 179.949 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.616 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.495 0.188 . . . . 73.22 110.998 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.49 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.11 -18.83 16.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 74.13 109.292 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.48 -51.02 18.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 73.42 110.034 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.495 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.98 -13.15 44.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 72.24 109.261 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.528 HG22 ' CE1' ' A' ' 14' ' ' TYR . 3.0 t -77.62 -30.88 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 63.24 109.279 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.87 -57.56 17.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.453 1.095 . . . . 72.34 110.983 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.622 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.4 Cg_endo -75.0 -25.44 11.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 75.34 111.022 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.409 ' HB1' ' O ' ' A' ' 17' ' ' ALA . . . -53.28 -24.84 12.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 72.1 109.262 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.8 t0 -71.11 -34.24 70.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 71.04 109.291 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.622 ' CD1' ' O ' ' A' ' 20' ' ' PRO . 0.6 OUTLIER -72.25 -51.2 22.04 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.984 -1.117 . . . . 75.45 107.984 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.608 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.63 -51.69 62.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.08 . . . . 73.45 109.281 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.481 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -64.86 -33.28 62.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 73.51 109.289 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 6.6 t -67.65 -36.92 81.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 74.11 109.99 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.59 -32.06 69.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 72.51 109.261 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.8 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 71.52 109.313 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.599 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.537 0.208 . . . . 73.33 111.022 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.486 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.1 -18.85 16.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 75.42 109.273 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -73.54 -51.13 18.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 74.04 109.959 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.501 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.92 -13.23 43.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 74.43 109.313 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.536 HG22 ' CE1' ' A' ' 14' ' ' TYR . 3.0 t -77.53 -30.96 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 72.53 109.307 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.81 -57.55 17.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.536 1.147 . . . . 73.54 111.016 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.618 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.2 Cg_endo -74.99 -25.42 11.9 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.53 1.805 . . . . 71.12 111.008 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.32 -24.77 12.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 64.14 109.297 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.5 OUTLIER -71.14 -34.21 70.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 63.14 109.312 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.618 ' CD1' ' O ' ' A' ' 20' ' ' PRO . 0.6 OUTLIER -72.27 -51.24 21.79 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.987 -1.116 . . . . 73.51 107.987 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.607 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.62 -51.66 63.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 64.4 109.279 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.484 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.5 OUTLIER -64.87 -33.32 62.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 75.21 109.315 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 7.0 t -67.61 -36.97 81.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 73.42 110.026 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.53 -32.09 69.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 42.53 109.286 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.7 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 72.22 109.298 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.598 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.531 0.205 . . . . 75.34 111.018 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.49 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.0 -18.89 15.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 73.23 109.333 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.39 -51.05 18.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 74.42 110.031 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.505 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -64.06 -13.12 44.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 74.2 109.283 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.525 HG22 ' CE1' ' A' ' 14' ' ' TYR . 3.0 t -77.55 -31.05 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 75.01 109.293 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.73 -57.56 17.27 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 71.51 110.981 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.616 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.2 Cg_endo -74.99 -25.54 11.79 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.478 1.778 . . . . 62.43 110.987 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 17' ' ' ALA . . . -53.15 -24.84 11.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 75.13 109.292 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.488 ' O ' ' CB ' ' A' ' 26' ' ' SER . 4.0 t0 -71.07 -34.39 71.14 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 70.14 109.274 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.616 ' CD1' ' O ' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -72.24 -51.06 22.71 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.967 -1.123 . . . . 75.22 107.967 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.603 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.66 -51.61 64.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 64.32 109.281 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.491 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 1.4 tp -64.77 -33.33 62.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 74.24 109.298 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 3.7 m -67.73 -36.9 81.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 72.14 109.998 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.57 -32.04 69.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 75.31 109.297 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.3 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 74.33 109.277 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.598 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.426 0.155 . . . . 74.34 110.959 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.504 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.12 -19.64 14.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 74.5 109.249 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -50.66 20.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 74.4 110.013 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.505 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.95 -13.25 44.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 71.11 109.334 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.519 HG23 ' CE1' ' A' ' 14' ' ' TYR . 3.1 t -77.5 -30.93 17.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 74.13 109.324 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.83 -57.57 17.38 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 72.43 111.009 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.617 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.3 Cg_endo -75.0 -25.51 11.79 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 75.55 111.008 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.18 -24.85 11.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 71.53 109.258 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.488 ' O ' ' CB ' ' A' ' 26' ' ' SER . 3.5 t0 -71.06 -34.36 71.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 74.35 109.307 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.617 ' CD1' ' O ' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -72.2 -51.1 22.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 73.44 108.04 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.604 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.68 -51.54 65.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 75.11 109.324 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.491 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.7 OUTLIER -64.86 -33.23 62.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 73.44 109.332 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 3.7 m -67.77 -36.91 81.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 61.25 109.984 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.55 -32.04 69.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 71.32 109.314 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.6 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 61.12 109.288 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.598 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.494 0.188 . . . . 74.11 110.984 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.507 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.48 -18.96 13.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 64.44 109.313 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.24 -51.23 18.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 72.44 110.03 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.505 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.99 -13.19 44.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 74.31 109.309 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.516 HG23 ' CE1' ' A' ' 14' ' ' TYR . 3.0 t -77.54 -30.91 17.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 73.11 109.269 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.86 -57.59 17.34 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.131 . . . . 75.23 111.009 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.619 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.2 Cg_endo -75.01 -25.41 11.88 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.556 1.819 . . . . 73.44 111.022 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 17' ' ' ALA . . . -53.22 -24.87 12.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 71.05 109.347 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.1 t70 -71.07 -34.26 71.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 70.12 109.303 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.619 ' CD1' ' O ' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -72.28 -51.21 21.88 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.953 -1.128 . . . . 75.21 107.953 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.603 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.59 -51.68 62.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 72.34 109.308 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.493 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -64.88 -33.29 62.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 72.04 109.306 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 6.7 t -67.72 -36.83 81.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 73.15 110.006 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.6 -32.03 69.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 72.34 109.33 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.5 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 75.43 109.274 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.603 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.481 0.181 . . . . 71.5 111.007 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.484 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.64 -19.05 14.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 74.54 109.264 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -73.55 -50.89 19.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 73.01 109.998 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.507 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.99 -13.16 44.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 64.04 109.322 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.526 HG23 ' CE1' ' A' ' 14' ' ' TYR . 3.0 t -77.53 -30.99 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 74.33 109.28 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.85 -57.54 17.55 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 63.43 111.014 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.624 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.3 Cg_endo -74.99 -25.45 11.88 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.442 1.759 . . . . 75.22 111.037 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 17' ' ' ALA . . . -53.28 -24.74 12.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 64.41 109.293 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.2 t70 -71.16 -34.29 70.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 63.44 109.303 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.624 ' CD1' ' O ' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -72.19 -51.22 22.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 74.25 108.021 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.604 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -56.6 -51.72 62.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 75.12 109.327 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.483 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.5 OUTLIER -64.83 -33.32 62.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 74.04 109.328 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 6.9 t -67.64 -36.88 81.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 72.35 109.983 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.6 -32.1 69.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 60.41 109.27 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.9 t . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 74.2 109.309 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.607 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.456 0.17 . . . . 72.33 110.998 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.508 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -55.99 -19.71 13.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 74.1 109.327 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 p -73.6 -50.7 19.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 75.14 109.968 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.504 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.93 -13.27 44.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 74.24 109.323 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.53 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.1 t -77.48 -30.85 17.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 71.21 109.312 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.94 -57.63 17.32 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.471 1.107 . . . . 65.11 110.988 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.614 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.3 Cg_endo -74.98 -25.4 11.94 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 75.34 111.0 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.408 ' HB1' ' O ' ' A' ' 17' ' ' ALA . . . -53.33 -24.79 12.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 74.31 109.279 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -71.19 -34.2 70.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 75.52 109.288 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.614 ' CD1' ' O ' ' A' ' 20' ' ' PRO . 0.6 OUTLIER -72.26 -51.18 22.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 74.44 108.033 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.605 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.66 -51.62 64.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 75.03 109.314 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.488 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 2.7 tp -64.91 -33.26 62.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 74.14 109.331 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 6.9 t -67.69 -36.9 81.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 63.53 109.995 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.53 -32.11 69.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 71.02 109.32 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.5 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 74.32 109.273 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.61 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.531 0.205 . . . . 64.51 111.021 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.506 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.65 -19.01 14.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.504 1.127 . . . . 74.23 109.343 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.8 t -73.55 -50.94 18.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 72.14 109.984 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.509 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -64.02 -13.17 44.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 74.44 109.313 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.532 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.0 t -77.54 -30.9 17.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 65.01 109.29 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.8 -57.63 17.11 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.115 . . . . 52.11 110.992 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.623 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.2 Cg_endo -75.0 -25.43 11.86 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.488 1.783 . . . . 71.41 110.98 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.412 ' HB1' ' O ' ' A' ' 17' ' ' ALA . . . -53.31 -24.79 12.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 72.33 109.269 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -71.18 -34.2 70.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 71.13 109.285 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.623 ' CD1' ' O ' ' A' ' 20' ' ' PRO . 0.6 OUTLIER -72.27 -51.15 22.17 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.03 -1.1 . . . . 75.5 108.03 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.611 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.64 -51.68 63.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 73.55 109.291 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.489 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.1 OUTLIER -64.84 -33.39 63.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 73.53 109.279 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 6.9 t -67.61 -36.91 81.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 74.13 109.99 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.56 -32.09 69.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 73.31 109.338 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.9 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 74.34 109.32 179.959 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.614 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.489 0.185 . . . . 75.24 111.046 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.504 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.87 -18.55 13.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 74.12 109.295 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.45 -51.64 16.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 71.32 109.996 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.513 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.96 -13.11 43.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.436 1.085 . . . . 74.44 109.297 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.535 HG22 ' CE1' ' A' ' 14' ' ' TYR . 3.1 t -77.72 -30.15 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 73.02 109.271 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.65 -57.47 18.6 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 42.14 110.977 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.625 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.5 Cg_endo -74.97 -25.27 12.07 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 74.43 111.04 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.407 ' HB1' ' O ' ' A' ' 17' ' ' ALA . . . -54.59 -23.8 18.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 70.21 109.293 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -73.87 -31.91 63.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 72.34 109.273 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.625 ' CD1' ' O ' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -72.18 -52.23 17.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 75.25 107.991 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.611 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.63 -51.48 65.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 75.23 109.288 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.486 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.1 OUTLIER -64.34 -32.98 59.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 74.22 109.274 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 6.8 t -68.26 -37.44 80.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 73.42 110.013 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.56 -32.1 69.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 73.24 109.33 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.6 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 64.45 109.265 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.605 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.44 0.162 . . . . 75.5 111.008 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.544 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -66.0 -16.14 63.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 73.42 109.33 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.401 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -69.54 -58.3 4.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 74.14 109.981 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.499 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -64.0 -13.14 44.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 64.2 109.292 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.405 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 3.0 t -77.57 -31.01 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 73.5 109.309 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.7 -57.59 17.08 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.521 1.138 . . . . 74.3 111.011 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.62 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.4 Cg_endo -74.98 -25.48 11.86 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 75.44 111.02 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.28 -24.76 12.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 70.31 109.317 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.7 OUTLIER -71.08 -34.34 71.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 74.25 109.342 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.62 ' CD1' ' O ' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -72.25 -51.07 22.62 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.011 -1.107 . . . . 72.53 108.011 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.611 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.65 -51.56 64.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 73.03 109.287 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.491 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 1.8 tp -64.87 -33.3 62.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 75.01 109.32 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 3.7 m -67.7 -36.91 81.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 74.54 110.005 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.58 -32.02 69.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 62.52 109.277 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.5 t . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 73.53 109.28 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.607 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.492 0.187 . . . . 74.41 111.011 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.538 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -66.07 -16.23 63.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 75.4 109.291 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.42 -42.68 61.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 75.41 109.993 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.504 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -77.81 -13.93 59.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 64.23 109.292 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.403 ' HA ' ' HB1' ' A' ' 21' ' ' ALA . 3.1 t -77.5 -30.97 17.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 72.14 109.282 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.86 -57.57 17.46 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.516 1.135 . . . . 63.0 110.951 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.616 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.4 Cg_endo -75.01 -25.4 11.88 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.514 1.797 . . . . 71.02 111.026 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.403 ' HB1' ' HA ' ' A' ' 18' ' ' VAL . . . -53.31 -24.84 12.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 73.13 109.301 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.2 t70 -71.1 -34.17 70.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 63.43 109.342 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.616 ' CD1' ' O ' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -72.24 -51.29 21.68 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.968 -1.123 . . . . 75.4 107.968 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.612 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.58 -51.67 62.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 74.23 109.313 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.493 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -64.87 -33.28 62.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.095 . . . . 74.33 109.333 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 6.8 t -67.73 -36.88 81.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 52.3 109.97 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.57 -32.11 69.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 72.44 109.276 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.6 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 74.23 109.306 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.6 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.468 0.175 . . . . 75.43 110.977 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.492 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.81 -19.02 14.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 74.2 109.317 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.58 -50.8 19.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 73.24 109.982 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.504 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -64.01 -13.23 45.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 73.13 109.277 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.534 HG22 ' CE1' ' A' ' 14' ' ' TYR . 3.1 t -77.56 -30.37 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 64.11 109.305 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.51 -57.66 17.6 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.474 1.109 . . . . 64.24 111.009 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.625 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.3 Cg_endo -75.0 -24.82 12.45 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.566 1.824 . . . . 65.34 111.005 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 17' ' ' ALA . . . -53.96 -25.0 18.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 71.22 109.308 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.97 -32.49 67.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 75.53 109.292 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.625 ' CD1' ' O ' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -72.48 -51.98 17.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 73.53 107.989 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.609 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -56.62 -52.93 47.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 74.14 109.282 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.505 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 3.2 tp -60.27 -34.59 57.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 74.3 109.337 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.42 ' N ' HG22 ' A' ' 25' ' ' ILE . 6.9 t -66.01 -44.14 85.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 71.11 110.026 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.69 -30.07 66.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 70.13 109.329 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.458 ' CG2' ' O ' ' A' ' 24' ' ' VAL . 90.6 t . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 75.44 109.348 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.601 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.51 0.195 . . . . 74.15 111.017 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.491 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.22 -18.82 17.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 75.52 109.32 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.57 -50.79 19.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 73.23 110.009 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.508 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.94 -13.28 44.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 55.24 109.339 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.524 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.1 t -77.53 -30.27 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 72.41 109.282 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.6 -57.67 17.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.458 1.099 . . . . 73.44 110.989 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.63 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.4 Cg_endo -75.0 -24.78 12.5 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.45 1.763 . . . . 74.34 111.016 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.406 ' HB1' ' O ' ' A' ' 17' ' ' ALA . . . -54.03 -25.03 19.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.077 . . . . 70.13 109.285 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -71.91 -32.52 67.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 73.34 109.296 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.63 ' CD1' ' O ' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -72.48 -51.96 17.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 73.01 108.018 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.611 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -56.6 -52.91 47.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 75.51 109.304 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.504 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.1 OUTLIER -60.32 -34.6 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 73.33 109.29 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.413 ' N ' HG21 ' A' ' 25' ' ' ILE . 6.8 t -66.0 -44.11 85.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 72.22 110.036 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.75 -30.03 66.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 51.22 109.309 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.46 ' CG2' ' O ' ' A' ' 24' ' ' VAL . 89.3 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 71.3 109.318 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.616 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.479 0.181 . . . . 75.42 111.034 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.505 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.99 -19.01 15.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 73.42 109.32 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -73.48 -51.05 18.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 73.42 110.009 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.496 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.97 -13.24 44.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 73.52 109.329 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.532 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.1 t -77.51 -30.31 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 75.34 109.312 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.64 -57.64 17.81 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.525 1.141 . . . . 52.02 110.975 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.632 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.2 Cg_endo -75.03 -24.83 12.39 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.522 1.801 . . . . 74.45 110.984 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 17' ' ' ALA . . . -53.93 -25.1 18.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 65.23 109.343 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -71.9 -32.53 67.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 73.43 109.278 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.632 ' CD1' ' O ' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -72.44 -52.0 17.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 73.11 107.986 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.621 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -56.59 -52.98 46.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 73.05 109.29 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.503 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 1.0 OUTLIER -60.27 -34.56 57.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 64.54 109.302 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.419 ' N ' HG22 ' A' ' 25' ' ' ILE . 7.6 t -66.11 -43.98 85.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 74.14 109.976 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.8 -30.02 66.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 72.34 109.295 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' A' ' 24' ' ' VAL . 92.2 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 75.32 109.271 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.6 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.494 0.187 . . . . 72.04 110.967 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.478 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.74 -18.94 14.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 75.24 109.299 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.49 -51.09 18.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 64.21 110.038 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.508 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.98 -13.23 44.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 70.04 109.287 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.529 HG23 ' CE1' ' A' ' 14' ' ' TYR . 3.1 t -77.51 -30.37 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 73.45 109.291 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.55 -57.68 17.56 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 75.41 110.979 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.625 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.2 Cg_endo -74.96 -24.79 12.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.452 1.764 . . . . 72.51 111.02 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -54.09 -24.98 19.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 73.35 109.258 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -72.01 -32.46 67.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.095 . . . . 75.14 109.278 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.625 ' CD1' ' O ' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -72.45 -52.0 17.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 73.55 107.996 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.618 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -56.52 -53.05 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 74.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.496 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 1.2 tp -60.22 -34.54 57.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 71.31 109.312 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.422 ' N ' HG21 ' A' ' 25' ' ' ILE . 7.2 t -66.15 -44.09 85.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 65.41 109.977 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.71 -30.08 66.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 72.21 109.305 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 24' ' ' VAL . 88.3 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 73.45 109.299 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.602 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.522 0.201 . . . . 74.42 110.984 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.485 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.12 -18.85 16.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 74.1 109.277 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.48 -51.07 18.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 71.3 109.976 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.503 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -64.01 -13.24 45.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.158 . . . . 73.2 109.301 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.542 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.1 t -77.51 -30.3 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 75.43 109.31 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.59 -57.7 17.48 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 61.15 110.953 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.621 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.3 Cg_endo -74.96 -24.82 12.55 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.477 1.778 . . . . 73.33 111.011 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -54.0 -24.97 18.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 65.1 109.307 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.99 -32.53 67.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 75.54 109.293 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.621 ' CD1' ' O ' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -72.39 -51.99 17.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 73.41 108.048 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.61 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -56.59 -52.98 46.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 74.3 109.254 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.5 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.9 OUTLIER -60.31 -34.52 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 72.24 109.307 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.417 ' N ' HG22 ' A' ' 25' ' ' ILE . 6.2 t -66.14 -44.06 85.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 72.42 110.006 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.72 -30.09 66.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 72.24 109.279 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 24' ' ' VAL . 91.2 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 73.43 109.339 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.61 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.5 0.19 . . . . 73.42 110.993 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.492 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.18 -18.8 17.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 73.42 109.316 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.51 -50.9 19.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 70.1 109.973 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.495 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -64.0 -13.24 45.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 53.41 109.266 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.532 HG22 ' CE1' ' A' ' 14' ' ' TYR . 3.1 t -77.54 -30.31 16.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 71.13 109.3 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.59 -57.62 17.88 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.527 1.142 . . . . 45.43 111.002 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.624 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.2 Cg_endo -75.03 -24.84 12.39 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.46 1.768 . . . . 65.32 110.957 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 17' ' ' ALA . . . -53.98 -25.05 18.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 72.13 109.323 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.91 -32.53 67.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 72.24 109.321 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.624 ' CD1' ' O ' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -72.44 -52.01 17.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 72.05 107.987 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.615 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -56.55 -52.94 47.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 75.02 109.343 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.498 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 1.2 tp -60.34 -34.55 58.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 71.43 109.293 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.415 ' N ' HG22 ' A' ' 25' ' ' ILE . 6.6 t -66.13 -43.97 85.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 74.02 110.001 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.79 -30.04 66.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 72.01 109.288 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.47 ' CG2' ' O ' ' A' ' 24' ' ' VAL . 92.4 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 74.42 109.278 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.597 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.498 0.19 . . . . 64.24 110.971 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.541 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -66.01 -16.09 63.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 70.45 109.331 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.415 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 20.0 t -72.17 -58.38 3.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 73.24 110.017 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.51 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.96 -13.19 44.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 44.44 109.308 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.0 t -77.54 -31.01 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 75.14 109.286 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.83 -57.52 17.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.466 1.104 . . . . 72.03 111.011 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.618 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.3 Cg_endo -75.04 -25.45 11.78 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.513 1.796 . . . . 63.04 110.98 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.409 ' HB1' ' O ' ' A' ' 17' ' ' ALA . . . -53.26 -24.78 12.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 70.32 109.306 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.4 OUTLIER -71.19 -34.25 70.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 74.21 109.297 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.618 ' CD1' ' O ' ' A' ' 20' ' ' PRO . 0.6 OUTLIER -72.29 -51.13 22.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 73.12 107.978 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.599 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.66 -51.66 63.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 71.41 109.335 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.488 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.9 OUTLIER -64.85 -33.31 62.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 72.03 109.299 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 6.6 t -67.74 -36.78 81.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 62.5 109.976 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.61 -32.12 69.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 65.31 109.292 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.4 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 71.0 109.283 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.598 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.497 0.189 . . . . 75.14 110.994 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.491 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.09 -18.86 16.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 75.24 109.328 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.48 -51.09 18.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 75.2 110.051 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.51 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.98 -13.16 44.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.103 . . . . 52.34 109.312 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.532 HG22 ' CE1' ' A' ' 14' ' ' TYR . 3.2 t -77.61 -29.93 16.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 71.34 109.34 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.95 -57.47 18.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.568 1.168 . . . . 63.43 111.021 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.627 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.4 Cg_endo -74.92 -25.06 12.4 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.465 1.771 . . . . 74.51 111.049 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 17' ' ' ALA . . . -54.97 -23.87 21.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 73.24 109.288 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.2 -30.97 62.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 55.55 109.289 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.627 ' CD1' ' O ' ' A' ' 20' ' ' PRO . 0.4 OUTLIER -72.44 -52.5 15.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 74.54 107.977 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.615 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -56.54 -52.8 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 75.5 109.283 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.499 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 1.5 tt -60.07 -34.43 56.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 75.52 109.297 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.42 ' N ' HG21 ' A' ' 25' ' ' ILE . 6.4 t -66.47 -44.18 83.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 74.51 110.022 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.7 -30.04 66.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 72.33 109.291 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.463 ' CG2' ' O ' ' A' ' 24' ' ' VAL . 90.0 t . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 73.54 109.313 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.255 -0.646 . . . . 64.53 109.255 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -157.69 53.66 0.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 74.23 110.974 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.414 ' CD2' ' C ' ' A' ' 3' ' ' HIS . 0.7 OUTLIER -176.91 -38.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 73.1 109.625 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.4 -16.63 64.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 72.31 109.31 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -74.36 177.96 5.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 74.42 111.017 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -147.09 94.85 2.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 75.42 109.995 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.406 ' CB ' ' NH2' ' A' ' 8' ' ' ARG . . . -59.11 -34.4 71.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 74.41 109.324 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.481 ' N ' ' HE ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -65.37 -13.63 59.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.165 . . . . 72.33 110.308 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.55 -32.86 3.78 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.456 1.098 . . . . 74.32 110.99 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.506 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -65.53 -49.85 75.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 0.757 . . . . 72.23 109.257 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.506 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 4.0 ptm180 -66.3 -40.92 90.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 75.15 110.312 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 8' ' ' ARG . 1.6 m-80 -59.6 -21.71 60.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 65.11 109.343 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -90.58 -16.37 28.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 74.13 109.348 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.607 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -80.97 -44.05 18.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 73.54 111.025 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.495 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.08 -18.82 16.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 71.42 109.299 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.52 -50.97 18.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 73.45 110.007 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.504 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.9 -13.29 44.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 75.24 109.273 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.527 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.0 t -77.47 -30.95 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 74.21 109.351 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.82 -57.64 17.06 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 72.32 111.0 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.622 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.4 Cg_endo -74.97 -25.42 11.95 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.515 1.797 . . . . 74.44 110.996 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.24 -24.85 12.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 74.24 109.331 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.7 OUTLIER -71.1 -34.22 70.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 74.43 109.321 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.622 ' CD1' ' O ' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -72.23 -51.21 22.03 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.975 -1.12 . . . . 73.12 107.975 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.61 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -56.65 -51.66 63.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 73.2 109.326 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.493 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -64.8 -33.38 63.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 72.35 109.331 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.513 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 6.7 t -67.61 -36.94 81.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 75.53 109.976 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.59 -32.05 69.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 73.34 109.292 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.9 t -69.01 -52.75 30.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 72.25 109.338 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.513 ' CD ' ' HA ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -70.95 -26.45 63.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 75.53 110.313 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.575 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -72.76 -36.16 58.18 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.507 1.129 . . . . 73.31 111.029 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.12 -28.1 42.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 0.735 . . . . 73.34 111.046 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.437 HG23 ' N ' ' A' ' 33' ' ' HIS . 0.3 OUTLIER -56.81 -41.72 76.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 73.5 109.354 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.575 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.0 p80 -81.78 -14.21 56.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 74.51 109.605 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.453 1.095 . . . . 73.22 111.015 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.7 m . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.267 -0.642 . . . . 73.41 109.267 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.549 ' O ' ' CD2' ' A' ' 2' ' ' PHE . 33.3 p90 -169.25 39.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 73.44 110.981 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.521 ' CD2' ' C ' ' A' ' 3' ' ' HIS . 0.2 OUTLIER -176.89 -38.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 74.52 109.601 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.76 -45.67 49.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 73.33 109.28 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.529 ' CD1' ' C ' ' A' ' 5' ' ' TYR . 2.2 p90 -70.45 151.14 45.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 63.34 110.993 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 m -159.23 94.82 1.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 64.13 109.987 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.38 -34.45 72.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 71.54 109.35 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.488 ' N ' ' HE ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -65.1 -13.8 58.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 72.54 110.331 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.68 -32.78 3.77 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.512 1.132 . . . . 73.44 110.992 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.502 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -65.59 -49.78 75.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 73.14 109.274 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.502 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 1.0 OUTLIER -66.58 -40.97 89.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 64.42 110.303 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 8' ' ' ARG . 1.5 m-80 -59.53 -21.73 60.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 71.43 109.295 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.462 ' N ' HD21 ' A' ' 13' ' ' ASN . 1.2 m-80 -90.58 -16.51 28.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 74.32 109.279 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.616 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -81.03 -44.07 18.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 73.22 110.998 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.49 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.11 -18.83 16.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 74.13 109.292 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.48 -51.02 18.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 73.42 110.034 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.495 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.98 -13.15 44.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 72.24 109.261 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.528 HG22 ' CE1' ' A' ' 14' ' ' TYR . 3.0 t -77.62 -30.88 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 63.24 109.279 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.87 -57.56 17.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.453 1.095 . . . . 72.34 110.983 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.622 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.4 Cg_endo -75.0 -25.44 11.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 75.34 111.022 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.409 ' HB1' ' O ' ' A' ' 17' ' ' ALA . . . -53.28 -24.84 12.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 72.1 109.262 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.8 t0 -71.11 -34.24 70.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 71.04 109.291 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.622 ' CD1' ' O ' ' A' ' 20' ' ' PRO . 0.6 OUTLIER -72.25 -51.2 22.04 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.984 -1.117 . . . . 75.45 107.984 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.608 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.63 -51.69 62.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.08 . . . . 73.45 109.281 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.481 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -64.86 -33.28 62.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 73.51 109.289 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.513 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 6.6 t -67.65 -36.92 81.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 74.11 109.99 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.59 -32.06 69.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 72.51 109.261 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.8 t -69.04 -52.75 30.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 71.52 109.313 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.513 ' CD ' ' HA ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -70.88 -26.54 63.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 71.21 110.334 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.571 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -72.73 -36.18 58.3 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 61.24 111.007 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.15 -28.11 42.79 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 0.785 . . . . 74.14 110.991 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.434 HG21 ' N ' ' A' ' 33' ' ' HIS . 0.3 OUTLIER -56.8 -41.76 76.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 75.51 109.32 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.571 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.1 p80 -81.82 -14.17 56.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 63.43 109.585 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.544 1.153 . . . . 63.32 111.051 179.954 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 3.4 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.277 -0.638 . . . . 73.44 109.277 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 -86.48 15.2 5.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 73.2 111.018 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -176.91 -38.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 74.24 109.597 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.68 -24.83 67.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 72.12 109.334 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -176.3 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 73.34 110.971 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.0 m 40.66 91.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 64.34 110.003 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.18 -34.37 72.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 74.2 109.304 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.528 ' N ' ' HE ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -64.41 -13.7 52.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 74.12 110.287 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.06 -31.44 4.12 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.523 1.14 . . . . 63.11 110.996 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.503 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -67.51 -49.78 67.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 0.765 . . . . 63.14 109.323 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.503 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 0.7 OUTLIER -66.46 -40.94 89.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 71.42 110.273 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 8' ' ' ARG . 1.7 m-80 -59.64 -21.61 60.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 75.44 109.296 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -90.62 -16.39 28.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.589 1.181 . . . . 75.52 109.331 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.599 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -80.99 -44.17 18.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 73.33 111.022 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.486 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.1 -18.85 16.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 75.42 109.273 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -73.54 -51.13 18.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 74.04 109.959 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.501 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.92 -13.23 43.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 74.43 109.313 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.536 HG22 ' CE1' ' A' ' 14' ' ' TYR . 3.0 t -77.53 -30.96 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 72.53 109.307 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.81 -57.55 17.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.536 1.147 . . . . 73.54 111.016 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.618 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.2 Cg_endo -74.99 -25.42 11.9 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.53 1.805 . . . . 71.12 111.008 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.32 -24.77 12.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 64.14 109.297 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.5 OUTLIER -71.14 -34.21 70.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 63.14 109.312 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.618 ' CD1' ' O ' ' A' ' 20' ' ' PRO . 0.6 OUTLIER -72.27 -51.24 21.79 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.987 -1.116 . . . . 73.51 107.987 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.607 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.62 -51.66 63.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 64.4 109.279 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.484 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.5 OUTLIER -64.87 -33.32 62.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 75.21 109.315 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.508 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 7.0 t -67.61 -36.97 81.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 73.42 110.026 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.53 -32.09 69.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 42.53 109.286 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.7 t -69.05 -52.72 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 72.22 109.298 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.508 ' CD ' ' HA ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -70.95 -26.4 63.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.163 . . . . 75.32 110.341 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.578 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -72.8 -36.14 58.05 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.496 1.122 . . . . 72.22 111.012 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.19 -28.13 42.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 0.777 . . . . 75.13 110.965 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.425 HG23 ' N ' ' A' ' 33' ' ' HIS . 0.3 OUTLIER -56.74 -41.71 75.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 71.22 109.326 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.578 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.1 p80 -81.88 -14.18 56.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 74.41 109.584 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.545 1.153 . . . . 72.53 111.02 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.334 -0.617 . . . . 72.1 109.334 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.538 ' O ' ' CD2' ' A' ' 2' ' ' PHE . 33.7 p90 -164.9 44.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 73.35 110.975 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.418 ' CD2' ' C ' ' A' ' 3' ' ' HIS . 0.6 OUTLIER -176.92 -38.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 73.24 109.589 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.63 -39.44 80.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 71.23 109.29 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 49.54 -177.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 74.22 110.988 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 m 44.26 93.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 75.41 110.001 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.471 ' CB ' ' NH2' ' A' ' 8' ' ' ARG . . . -58.6 -35.05 71.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 74.52 109.279 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.52 ' N ' ' HE ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -65.55 -15.5 62.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 74.15 110.291 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.52 -31.79 4.77 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.106 . . . . 62.42 110.973 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.504 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -68.12 -49.83 63.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.761 . . . . 75.41 109.288 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.504 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 8.2 ptm180 -65.14 -40.9 95.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 73.42 110.341 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 8' ' ' ARG . 1.6 m-80 -59.55 -21.69 60.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 64.55 109.327 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -90.57 -16.4 28.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 73.44 109.344 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.598 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -80.93 -44.14 18.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 75.34 111.018 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.49 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.0 -18.89 15.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 73.23 109.333 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.39 -51.05 18.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 74.42 110.031 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.505 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -64.06 -13.12 44.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 74.2 109.283 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.525 HG22 ' CE1' ' A' ' 14' ' ' TYR . 3.0 t -77.55 -31.05 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 75.01 109.293 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.73 -57.56 17.27 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 71.51 110.981 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.616 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.2 Cg_endo -74.99 -25.54 11.79 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.478 1.778 . . . . 62.43 110.987 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 17' ' ' ALA . . . -53.15 -24.84 11.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 75.13 109.292 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.488 ' O ' ' CB ' ' A' ' 26' ' ' SER . 4.0 t0 -71.07 -34.39 71.14 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 70.14 109.274 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.616 ' CD1' ' O ' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -72.24 -51.06 22.71 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.967 -1.123 . . . . 75.22 107.967 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.603 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.66 -51.61 64.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 64.32 109.281 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.491 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 1.4 tp -64.77 -33.33 62.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 74.24 109.298 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.507 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 3.7 m -67.73 -36.9 81.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 72.14 109.998 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.57 -32.04 69.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 75.31 109.297 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.3 t -69.11 -52.75 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 74.33 109.277 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.507 ' CD ' ' HA ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -70.87 -26.45 63.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 74.51 110.349 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.578 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -72.8 -36.12 58.08 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.118 . . . . 53.31 111.023 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.17 -28.1 42.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 72.33 111.025 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.431 HG21 ' N ' ' A' ' 33' ' ' HIS . 0.3 OUTLIER -56.82 -41.7 76.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 75.3 109.291 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.578 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.0 p80 -81.87 -14.13 56.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 73.54 109.589 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.448 1.092 . . . . 63.45 110.976 -179.977 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.328 -0.619 . . . . 74.22 109.328 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -159.55 33.89 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 74.34 110.994 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.508 ' CD2' ' C ' ' A' ' 3' ' ' HIS . 0.3 OUTLIER -176.86 -38.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 71.42 109.599 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.0 -43.49 71.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 74.15 109.278 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 49.06 -172.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 65.3 110.999 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.2 m 42.48 92.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 75.42 110.012 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.434 ' CB ' ' NH2' ' A' ' 8' ' ' ARG . . . -58.9 -35.05 72.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 75.21 109.335 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.539 ' N ' ' HE ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -65.12 -14.06 59.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 74.12 110.281 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.27 -32.36 4.33 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 71.25 111.058 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.502 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -67.65 -49.74 67.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 74.22 109.336 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.502 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 7.6 ptm180 -65.81 -40.85 92.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 74.4 110.287 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 8' ' ' ARG . 1.6 m-80 -59.54 -21.81 60.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 73.43 109.27 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.453 ' N ' HD21 ' A' ' 13' ' ' ASN . 1.0 OUTLIER -90.46 -16.94 28.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 73.44 109.292 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.598 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -81.04 -44.63 17.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 74.34 110.959 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.504 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.12 -19.64 14.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 74.5 109.249 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -50.66 20.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 74.4 110.013 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.505 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.95 -13.25 44.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 71.11 109.334 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.519 HG23 ' CE1' ' A' ' 14' ' ' TYR . 3.1 t -77.5 -30.93 17.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 74.13 109.324 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.83 -57.57 17.38 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 72.43 111.009 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.617 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.3 Cg_endo -75.0 -25.51 11.79 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 75.55 111.008 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.18 -24.85 11.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 71.53 109.258 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.488 ' O ' ' CB ' ' A' ' 26' ' ' SER . 3.5 t0 -71.06 -34.36 71.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 74.35 109.307 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.617 ' CD1' ' O ' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -72.2 -51.1 22.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 73.44 108.04 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.604 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.68 -51.54 65.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 75.11 109.324 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.491 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.7 OUTLIER -64.86 -33.23 62.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 73.44 109.332 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.507 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 3.7 m -67.77 -36.91 81.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 61.25 109.984 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.55 -32.04 69.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 71.32 109.314 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.6 t -69.12 -52.68 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 61.12 109.288 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.507 ' CD ' ' HA ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -70.96 -26.46 63.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 70.11 110.302 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.578 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -72.72 -36.22 58.29 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 63.32 111.003 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.17 -28.12 42.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 0.797 . . . . 54.41 111.018 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.433 HG22 ' N ' ' A' ' 33' ' ' HIS . 0.3 OUTLIER -56.83 -41.67 76.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 74.23 109.319 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.578 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.0 p80 -81.81 -14.15 56.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 63.23 109.617 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 74.12 110.988 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 17.0 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.345 -0.613 . . . . 74.32 109.345 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.464 ' O ' ' CD2' ' A' ' 2' ' ' PHE . 39.6 p90 -162.44 41.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 75.51 111.011 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.523 ' CD2' ' C ' ' A' ' 3' ' ' HIS . 0.2 OUTLIER -176.9 -38.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 74.3 109.548 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.22 -50.02 69.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 72.54 109.304 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.402 ' O ' ' O ' ' A' ' 6' ' ' SER . 12.8 m-85 53.3 -173.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 73.43 110.998 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 5' ' ' TYR . 57.0 m 43.96 93.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 72.31 110.024 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.428 ' CB ' ' NH2' ' A' ' 8' ' ' ARG . . . -59.01 -35.16 72.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 72.42 109.285 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.537 ' N ' ' HE ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -64.18 -13.06 46.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 72.51 110.325 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.96 -34.79 3.14 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.448 1.092 . . . . 75.51 111.046 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.51 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -62.75 -50.04 81.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.543 0.79 . . . . 72.24 109.271 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.51 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 9.5 ptp180 -69.99 -39.82 75.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 74.14 110.272 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 8' ' ' ARG . 1.5 m-80 -59.3 -22.29 60.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 71.4 109.314 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -89.87 -17.54 27.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 72.23 109.342 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.598 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -80.97 -44.63 17.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.078 . . . . 74.11 110.984 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.507 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.48 -18.96 13.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 64.44 109.313 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.24 -51.23 18.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 72.44 110.03 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.505 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.99 -13.19 44.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 74.31 109.309 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.516 HG23 ' CE1' ' A' ' 14' ' ' TYR . 3.0 t -77.54 -30.91 17.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 73.11 109.269 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.86 -57.59 17.34 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.131 . . . . 75.23 111.009 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.619 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.2 Cg_endo -75.01 -25.41 11.88 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.556 1.819 . . . . 73.44 111.022 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 17' ' ' ALA . . . -53.22 -24.87 12.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 71.05 109.347 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.1 t70 -71.07 -34.26 71.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 70.12 109.303 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.619 ' CD1' ' O ' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -72.28 -51.21 21.88 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.953 -1.128 . . . . 75.21 107.953 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.603 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.59 -51.68 62.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 72.34 109.308 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.493 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -64.88 -33.29 62.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 72.04 109.306 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.508 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 6.7 t -67.72 -36.83 81.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 73.15 110.006 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.6 -32.03 69.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 72.34 109.33 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.5 t -69.1 -52.71 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 75.43 109.274 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.508 ' CD ' ' HA ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -70.96 -26.41 63.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 72.33 110.297 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.577 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -72.8 -36.24 58.0 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.442 1.089 . . . . 71.03 110.983 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.15 -28.02 42.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.756 . . . . 73.42 111.007 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.433 HG23 ' N ' ' A' ' 33' ' ' HIS . 0.3 OUTLIER -56.88 -41.69 76.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 72.43 109.292 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.577 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.0 p80 -81.82 -14.18 56.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 75.41 109.612 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.522 1.139 . . . . 73.43 110.995 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.441 ' CG2' ' HB3' ' A' ' 4' ' ' ALA . 1.6 t . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.256 -0.646 . . . . 73.53 109.256 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 2' ' ' PHE . 6.5 t80 -86.72 5.19 37.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 74.13 111.002 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.542 ' CD2' ' C ' ' A' ' 3' ' ' HIS . 0.2 OUTLIER -176.81 -38.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 75.33 109.6 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.441 ' HB3' ' CG2' ' A' ' 1' ' ' VAL . . . -46.58 -35.25 5.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 54.25 109.266 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.417 ' HB3' ' N ' ' A' ' 1' ' ' VAL . 0.1 OUTLIER -72.1 -169.14 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 73.14 111.036 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.0 m 39.52 86.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 52.53 109.99 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.95 -34.35 73.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 61.35 109.297 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.671 ' N ' ' HE ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -62.35 -13.48 29.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 75.33 110.273 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.48 -37.75 3.2 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.118 . . . . 62.1 111.019 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.509 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -68.74 -49.86 60.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 0.787 . . . . 55.14 109.309 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.509 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 17.1 ptt180 -59.27 -40.41 85.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 63.51 110.298 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 8' ' ' ARG . 1.2 m-80 -59.3 -22.07 60.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 71.41 109.266 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -90.24 -17.34 27.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 72.3 109.25 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.603 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -80.99 -44.28 18.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 71.5 111.007 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.484 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.64 -19.05 14.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 74.54 109.264 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -73.55 -50.89 19.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 73.01 109.998 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.507 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.99 -13.16 44.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 64.04 109.322 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.526 HG23 ' CE1' ' A' ' 14' ' ' TYR . 3.0 t -77.53 -30.99 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 74.33 109.28 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.85 -57.54 17.55 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 63.43 111.014 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.624 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.3 Cg_endo -74.99 -25.45 11.88 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.442 1.759 . . . . 75.22 111.037 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 17' ' ' ALA . . . -53.28 -24.74 12.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 64.41 109.293 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.2 t70 -71.16 -34.29 70.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 63.44 109.303 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.624 ' CD1' ' O ' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -72.19 -51.22 22.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 74.25 108.021 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.604 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -56.6 -51.72 62.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 75.12 109.327 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.483 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.5 OUTLIER -64.83 -33.32 62.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 74.04 109.328 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.507 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 6.9 t -67.64 -36.88 81.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 72.35 109.983 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.6 -32.1 69.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 60.41 109.27 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.9 t -69.07 -52.7 31.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 74.2 109.309 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.507 ' CD ' ' HA ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -70.97 -26.46 63.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 74.52 110.299 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.578 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -72.74 -36.17 58.25 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 43.23 111.032 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.17 -28.15 42.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 72.13 111.006 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.435 HG21 ' N ' ' A' ' 33' ' ' HIS . 0.3 OUTLIER -56.8 -41.74 76.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 74.31 109.303 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.578 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.0 p80 -81.76 -14.18 56.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 71.53 109.617 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.529 1.143 . . . . 65.22 110.973 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.511 ' CG2' ' N ' ' A' ' 2' ' ' PHE . 3.1 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.285 -0.635 . . . . 72.02 109.285 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.511 ' N ' ' CG2' ' A' ' 1' ' ' VAL . 1.0 OUTLIER 75.3 31.35 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 74.11 111.035 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.538 ' CD2' ' C ' ' A' ' 3' ' ' HIS . 0.1 OUTLIER -176.77 -38.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 74.33 109.58 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.88 -28.78 61.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 73.13 109.298 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -69.38 179.42 2.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 73.22 111.016 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 m 45.62 94.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.551 1.157 . . . . 65.14 109.992 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.478 ' CB ' ' NH2' ' A' ' 8' ' ' ARG . . . -59.15 -34.47 72.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 73.34 109.279 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.533 ' N ' ' HE ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -66.44 -14.33 62.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 74.15 110.305 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.78 -30.32 4.32 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.503 1.127 . . . . 62.41 110.953 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.506 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -66.88 -49.83 70.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 75.41 109.301 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.506 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 5.2 ptt85 -66.97 -40.9 87.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 74.53 110.311 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' A' ' 8' ' ' ARG . 1.7 m-80 -59.44 -21.81 60.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 75.3 109.288 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.432 ' N ' HD21 ' A' ' 13' ' ' ASN . 1.1 m-80 -90.5 -17.05 27.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 73.44 109.27 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.607 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -81.02 -44.66 17.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 72.33 110.998 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.508 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -55.99 -19.71 13.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 74.1 109.327 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 p -73.6 -50.7 19.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 75.14 109.968 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.504 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.93 -13.27 44.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 74.24 109.323 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.53 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.1 t -77.48 -30.85 17.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 71.21 109.312 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.94 -57.63 17.32 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.471 1.107 . . . . 65.11 110.988 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.614 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.3 Cg_endo -74.98 -25.4 11.94 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 75.34 111.0 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.408 ' HB1' ' O ' ' A' ' 17' ' ' ALA . . . -53.33 -24.79 12.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 74.31 109.279 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -71.19 -34.2 70.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 75.52 109.288 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.614 ' CD1' ' O ' ' A' ' 20' ' ' PRO . 0.6 OUTLIER -72.26 -51.18 22.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 74.44 108.033 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.605 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.66 -51.62 64.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 75.03 109.314 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.488 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 2.7 tp -64.91 -33.26 62.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 74.14 109.331 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.508 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 6.9 t -67.69 -36.9 81.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 63.53 109.995 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.53 -32.11 69.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 71.02 109.32 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.5 t -69.08 -52.71 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 74.32 109.273 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.508 ' CD ' ' HA ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -70.98 -26.46 63.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 74.35 110.27 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.576 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -72.71 -36.22 58.34 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.449 1.093 . . . . 75.22 110.995 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.14 -28.14 42.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 0.792 . . . . 74.21 110.98 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.425 HG21 ' N ' ' A' ' 33' ' ' HIS . 0.3 OUTLIER -56.82 -41.73 76.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 72.12 109.274 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.576 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.1 p80 -81.82 -14.16 56.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 72.44 109.605 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 75.42 111.022 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.526 ' CG2' ' N ' ' A' ' 2' ' ' PHE . 3.1 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.313 -0.625 . . . . 73.44 109.313 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.526 ' N ' ' CG2' ' A' ' 1' ' ' VAL . 1.2 t80 75.34 31.26 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 74.21 111.015 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.501 ' CD2' ' C ' ' A' ' 3' ' ' HIS . 0.2 OUTLIER -176.7 -38.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 72.02 109.58 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.5 -46.45 48.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 54.34 109.265 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.411 ' CZ ' ' HB1' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -65.74 167.78 8.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 71.31 111.003 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.2 m -107.89 94.56 5.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 72.43 109.992 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.425 ' CB ' ' NH2' ' A' ' 8' ' ' ARG . . . -58.34 -34.52 70.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 73.11 109.273 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.516 ' N ' ' HE ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -62.79 -17.65 61.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 74.54 110.285 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.4 ' O ' ' CG ' ' A' ' 13' ' ' ASN . . . -99.02 -35.32 4.85 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.527 1.142 . . . . 63.12 111.0 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.512 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -68.71 -49.73 61.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 0.751 . . . . 74.23 109.329 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.512 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 1.5 ptm180 -59.15 -40.43 85.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 75.34 110.307 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.443 ' N ' ' CG ' ' A' ' 11' ' ' ARG . 1.3 m-80 -59.51 -21.91 60.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 74.24 109.284 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 9' ' ' GLY . 3.2 m120 -90.29 -17.1 28.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 72.4 109.306 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.61 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -80.99 -44.41 18.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 64.51 111.021 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.506 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.65 -19.01 14.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.504 1.127 . . . . 74.23 109.343 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.8 t -73.55 -50.94 18.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 72.14 109.984 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.509 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -64.02 -13.17 44.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 74.44 109.313 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.532 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.0 t -77.54 -30.9 17.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 65.01 109.29 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.8 -57.63 17.11 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.115 . . . . 52.11 110.992 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.623 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.2 Cg_endo -75.0 -25.43 11.86 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.488 1.783 . . . . 71.41 110.98 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.412 ' HB1' ' O ' ' A' ' 17' ' ' ALA . . . -53.31 -24.79 12.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 72.33 109.269 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -71.18 -34.2 70.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 71.13 109.285 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.623 ' CD1' ' O ' ' A' ' 20' ' ' PRO . 0.6 OUTLIER -72.27 -51.15 22.17 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.03 -1.1 . . . . 75.5 108.03 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.611 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.64 -51.68 63.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 73.55 109.291 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.489 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.1 OUTLIER -64.84 -33.39 63.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 73.53 109.279 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.513 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 6.9 t -67.61 -36.91 81.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 74.13 109.99 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.56 -32.09 69.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 73.31 109.338 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.9 t -69.01 -52.74 31.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 74.34 109.32 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.513 ' CD ' ' HA ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -70.91 -26.51 63.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 74.53 110.267 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.575 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -72.73 -36.22 58.27 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.466 1.104 . . . . 73.13 110.981 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.14 -28.15 42.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 0.74 . . . . 63.24 110.975 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.437 HG22 ' N ' ' A' ' 33' ' ' HIS . 0.3 OUTLIER -56.8 -41.69 76.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 73.2 109.295 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.575 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.0 p80 -81.86 -14.13 56.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 71.12 109.601 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 71.3 110.972 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.352 -0.61 . . . . 74.42 109.352 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.15 40.09 0.9 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 74.54 111.033 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.51 ' CD2' ' C ' ' A' ' 3' ' ' HIS . 0.4 OUTLIER -177.0 -38.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 73.54 109.562 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.71 -36.56 43.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.138 . . . . 64.33 109.274 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 44.39 -169.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 73.45 111.016 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.9 m 39.46 87.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 73.15 109.955 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.23 -34.52 75.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 52.15 109.322 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.667 ' N ' ' HE ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -62.37 -13.68 31.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 73.31 110.267 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.403 ' O ' ' CG ' ' A' ' 13' ' ' ASN . . . -101.83 -37.97 3.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.096 . . . . 60.21 111.03 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.51 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -68.75 -49.99 59.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 72.53 109.297 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.51 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 2.2 ptm180 -59.33 -40.3 85.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 72.13 110.27 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 8' ' ' ARG . 1.2 m-80 -59.21 -22.17 60.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 63.35 109.265 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 9' ' ' GLY . 3.3 m120 -90.17 -17.62 27.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 73.14 109.264 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.614 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -80.99 -44.15 18.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 75.24 111.046 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.504 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.87 -18.55 13.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 74.12 109.295 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.45 -51.64 16.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 71.32 109.996 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.513 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.96 -13.11 43.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.436 1.085 . . . . 74.44 109.297 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.535 HG22 ' CE1' ' A' ' 14' ' ' TYR . 3.1 t -77.72 -30.15 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 73.02 109.271 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.65 -57.47 18.6 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 42.14 110.977 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.625 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.5 Cg_endo -74.97 -25.27 12.07 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 74.43 111.04 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.407 ' HB1' ' O ' ' A' ' 17' ' ' ALA . . . -54.59 -23.8 18.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 70.21 109.293 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -73.87 -31.91 63.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 72.34 109.273 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.625 ' CD1' ' O ' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -72.18 -52.23 17.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 75.25 107.991 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.611 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.63 -51.48 65.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 75.23 109.288 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.486 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.1 OUTLIER -64.34 -32.98 59.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 74.22 109.274 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.511 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 6.8 t -68.26 -37.44 80.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 73.42 110.013 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.56 -32.1 69.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 73.24 109.33 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.6 t -69.04 -52.76 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 64.45 109.265 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.511 ' CD ' ' HA ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -70.85 -26.44 63.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 73.21 110.347 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.575 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -72.8 -36.19 58.03 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.556 1.16 . . . . 74.31 110.996 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.2 -27.94 42.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 61.33 110.982 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.439 HG22 ' N ' ' A' ' 33' ' ' HIS . 0.3 OUTLIER -56.95 -41.68 77.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 75.33 109.324 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.575 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.1 p80 -81.84 -14.1 56.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 71.32 109.641 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 64.21 111.031 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 23.0 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.324 -0.621 . . . . 71.14 109.324 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.476 ' O ' ' CD2' ' A' ' 2' ' ' PHE . 25.5 p90 -172.33 44.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 74.2 111.002 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.512 ' CD2' ' C ' ' A' ' 3' ' ' HIS . 0.2 OUTLIER -176.91 -38.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 72.31 109.592 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.58 -49.81 69.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 55.32 109.292 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 44.93 -170.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 71.33 110.993 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.6 m 44.42 93.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 72.3 110.03 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.498 ' CB ' ' NH2' ' A' ' 8' ' ' ARG . . . -59.23 -34.45 72.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 70.31 109.327 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.53 ' N ' ' HE ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -65.76 -12.97 58.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 74.51 110.339 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.13 -30.18 4.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 63.4 110.962 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.506 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -68.79 -49.62 62.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 75.24 109.286 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.506 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 10.3 ptm180 -64.55 -41.12 96.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 1.164 . . . . 72.34 110.265 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.513 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 2.2 m-80 -61.64 -20.07 62.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 74.11 109.325 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -91.79 -12.48 33.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 64.23 109.322 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.605 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -81.37 -48.29 12.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 75.5 111.008 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.544 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -66.0 -16.14 63.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 73.42 109.33 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.401 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -69.54 -58.3 4.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 74.14 109.981 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.499 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -64.0 -13.14 44.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 64.2 109.292 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.405 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 3.0 t -77.57 -31.01 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 73.5 109.309 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.7 -57.59 17.08 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.521 1.138 . . . . 74.3 111.011 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.62 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.4 Cg_endo -74.98 -25.48 11.86 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 75.44 111.02 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.28 -24.76 12.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 70.31 109.317 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.7 OUTLIER -71.08 -34.34 71.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 74.25 109.342 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.62 ' CD1' ' O ' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -72.25 -51.07 22.62 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.011 -1.107 . . . . 72.53 108.011 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.611 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.65 -51.56 64.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 73.03 109.287 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.491 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 1.8 tp -64.87 -33.3 62.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 75.01 109.32 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.508 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 3.7 m -67.7 -36.91 81.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 74.54 110.005 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.58 -32.02 69.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 62.52 109.277 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.5 t -69.12 -52.72 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 73.53 109.28 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.508 ' CD ' ' HA ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -70.9 -26.46 63.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 73.31 110.299 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.578 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -72.8 -36.11 58.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.472 1.108 . . . . 75.23 111.016 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.19 -28.15 42.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 74.41 111.007 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.437 HG23 ' N ' ' A' ' 33' ' ' HIS . 0.3 OUTLIER -56.75 -41.7 75.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 75.42 109.335 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.578 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.1 p80 -81.87 -14.17 56.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 74.23 109.548 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.11 . . . . 63.11 110.992 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.405 ' CG1' ' HB3' ' A' ' 4' ' ' ALA . 3.0 t . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.302 -0.629 . . . . 73.54 109.302 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.46 4.33 21.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 73.03 111.014 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.478 ' CD2' ' C ' ' A' ' 3' ' ' HIS . 1.3 t60 -176.93 -38.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 75.33 109.616 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.405 ' HB3' ' CG1' ' A' ' 1' ' ' VAL . . . -57.05 -21.87 34.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 50.05 109.319 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -61.05 158.6 13.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 73.32 110.962 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.1 m -133.25 91.89 2.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 72.23 110.021 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.59 -34.47 72.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 75.25 109.325 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.612 ' N ' ' HE ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -65.22 -13.83 59.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 74.31 110.279 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.401 ' O ' ' ND2' ' A' ' 13' ' ' ASN . . . -106.41 -29.77 4.65 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.533 1.145 . . . . 65.14 110.996 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.495 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -68.83 -49.63 62.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 74.43 109.306 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.495 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 0.7 OUTLIER -66.86 -41.3 87.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 64.42 110.292 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.514 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 2.1 m-80 -61.67 -20.05 63.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 73.11 109.334 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' A' ' 9' ' ' GLY . 1.2 m-80 -91.58 -12.72 33.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 62.33 109.315 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.607 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -81.31 -48.25 12.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 74.41 111.011 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.538 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -66.07 -16.23 63.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 75.4 109.291 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.42 -42.68 61.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 75.41 109.993 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.504 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -77.81 -13.93 59.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 64.23 109.292 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.403 ' HA ' ' HB1' ' A' ' 21' ' ' ALA . 3.1 t -77.5 -30.97 17.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 72.14 109.282 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.86 -57.57 17.46 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.516 1.135 . . . . 63.0 110.951 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.616 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.4 Cg_endo -75.01 -25.4 11.88 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.514 1.797 . . . . 71.02 111.026 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.403 ' HB1' ' HA ' ' A' ' 18' ' ' VAL . . . -53.31 -24.84 12.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 73.13 109.301 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.2 t70 -71.1 -34.17 70.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 63.43 109.342 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.616 ' CD1' ' O ' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -72.24 -51.29 21.68 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.968 -1.123 . . . . 75.4 107.968 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.612 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.58 -51.67 62.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 74.23 109.313 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.493 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -64.87 -33.28 62.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.095 . . . . 74.33 109.333 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.503 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 6.8 t -67.73 -36.88 81.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 52.3 109.97 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.57 -32.11 69.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 72.44 109.276 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.6 t -69.02 -52.75 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 74.23 109.306 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.503 ' CD ' ' HA ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -70.92 -26.44 63.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 74.02 110.325 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.575 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -72.76 -36.24 58.14 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 74.41 110.958 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.1 -28.16 42.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 70.33 111.013 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.428 HG22 ' N ' ' A' ' 33' ' ' HIS . 0.3 OUTLIER -56.87 -41.69 76.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 74.11 109.294 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.575 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.0 p80 -81.78 -14.14 56.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 74.5 109.599 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.515 1.135 . . . . 73.22 110.987 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.439 ' O ' ' CD2' ' A' ' 2' ' ' PHE . 31.0 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.309 -0.626 . . . . 62.24 109.309 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.439 ' CD2' ' O ' ' A' ' 1' ' ' VAL . 29.3 m-85 -164.39 47.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 72.33 111.029 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.414 ' CD2' ' C ' ' A' ' 3' ' ' HIS . 0.8 OUTLIER -176.92 -38.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 63.44 109.599 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.17 -39.25 78.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 65.54 109.279 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 52.66 -172.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 74.54 111.039 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 m 45.14 94.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 73.35 110.013 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.473 ' CB ' ' NH2' ' A' ' 8' ' ' ARG . . . -59.07 -34.48 72.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 73.22 109.354 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.515 ' N ' ' HE ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -66.56 -14.2 62.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 72.31 110.275 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.71 -31.08 4.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.519 1.137 . . . . 75.01 111.016 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.501 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -67.19 -49.8 69.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.524 0.779 . . . . 75.21 109.286 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.501 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 1.6 ptm180 -66.52 -40.91 89.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 72.02 110.317 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.473 ' O ' ' CE ' ' A' ' 15' ' ' LYS . 1.7 m-80 -59.6 -21.67 60.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 74.44 109.32 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -90.63 -16.47 28.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 73.42 109.293 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.6 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -80.98 -44.22 18.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 75.43 110.977 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.492 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.81 -19.02 14.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 74.2 109.317 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.58 -50.8 19.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 73.24 109.982 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.504 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -64.01 -13.23 45.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 73.13 109.277 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.534 HG22 ' CE1' ' A' ' 14' ' ' TYR . 3.1 t -77.56 -30.37 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 64.11 109.305 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.51 -57.66 17.6 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.474 1.109 . . . . 64.24 111.009 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.625 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.3 Cg_endo -75.0 -24.82 12.45 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.566 1.824 . . . . 65.34 111.005 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 17' ' ' ALA . . . -53.96 -25.0 18.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 71.22 109.308 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.97 -32.49 67.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 75.53 109.292 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.625 ' CD1' ' O ' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -72.48 -51.98 17.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 73.53 107.989 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.609 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -56.62 -52.93 47.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 74.14 109.282 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.505 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 3.2 tp -60.27 -34.59 57.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 74.3 109.337 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.42 ' N ' HG22 ' A' ' 25' ' ' ILE . 6.9 t -66.01 -44.14 85.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 71.11 110.026 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.69 -30.07 66.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 70.13 109.329 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.458 ' CG2' ' O ' ' A' ' 24' ' ' VAL . 90.6 t -62.6 -51.52 71.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 75.44 109.348 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.417 ' HG2' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -70.66 -26.83 63.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 75.12 110.296 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.561 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -75.15 -34.7 51.17 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.473 1.108 . . . . 74.21 111.032 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.81 -26.98 44.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 72.2 111.04 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.419 HG23 ' N ' ' A' ' 33' ' ' HIS . 0.3 OUTLIER -57.19 -41.62 78.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 64.14 109.345 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.561 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 32.0 p80 -82.97 -13.67 55.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 72.52 109.601 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 74.34 111.003 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.309 -0.626 . . . . 74.43 109.309 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -153.23 52.14 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 73.43 110.966 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.419 ' CD2' ' C ' ' A' ' 3' ' ' HIS . 2.3 t60 -176.9 -38.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 75.21 109.551 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.58 -23.42 65.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 74.25 109.294 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -67.65 170.97 6.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 75.34 110.976 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.4 m -89.95 94.51 9.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 75.11 109.978 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.426 ' CB ' ' NH2' ' A' ' 8' ' ' ARG . . . -59.25 -34.5 72.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 71.13 109.29 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.498 ' N ' ' HE ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -65.08 -13.8 58.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 73.44 110.338 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.54 -33.31 3.91 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 73.21 111.03 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.503 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -66.51 -49.79 72.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 70.13 109.278 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.503 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 8.7 ptm180 -65.2 -40.87 94.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 72.02 110.305 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 8' ' ' ARG . 1.6 m-80 -59.6 -21.7 60.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 75.34 109.273 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -90.54 -16.33 29.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 75.02 109.355 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.601 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -80.94 -44.04 18.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 74.15 111.017 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.491 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.22 -18.82 17.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 75.52 109.32 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.57 -50.79 19.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 73.23 110.009 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.508 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.94 -13.28 44.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 55.24 109.339 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.524 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.1 t -77.53 -30.27 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 72.41 109.282 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.6 -57.67 17.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.458 1.099 . . . . 73.44 110.989 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.63 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.4 Cg_endo -75.0 -24.78 12.5 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.45 1.763 . . . . 74.34 111.016 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.406 ' HB1' ' O ' ' A' ' 17' ' ' ALA . . . -54.03 -25.03 19.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.077 . . . . 70.13 109.285 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -71.91 -32.52 67.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 73.34 109.296 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.63 ' CD1' ' O ' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -72.48 -51.96 17.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 73.01 108.018 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.611 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -56.6 -52.91 47.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 75.51 109.304 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.504 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.1 OUTLIER -60.32 -34.6 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 73.33 109.29 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.421 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 6.8 t -66.0 -44.11 85.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 72.22 110.036 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.75 -30.03 66.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 51.22 109.309 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.46 ' CG2' ' O ' ' A' ' 24' ' ' VAL . 89.3 t -62.57 -51.56 70.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 71.3 109.318 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -70.68 -26.8 63.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 72.11 110.306 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.554 ' O ' ' CD2' ' A' ' 33' ' ' HIS . . . -75.22 -34.59 51.08 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 73.43 110.964 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.86 -26.92 44.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 72.43 110.98 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.414 HG22 ' N ' ' A' ' 33' ' ' HIS . 0.3 OUTLIER -57.18 -41.64 78.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 75.11 109.299 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.554 ' CD2' ' O ' ' A' ' 30' ' ' GLY . 31.9 p80 -83.0 -13.75 55.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 74.13 109.565 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.458 1.099 . . . . 73.3 111.033 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.544 ' O ' ' CG ' ' A' ' 2' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.334 -0.617 . . . . 72.5 109.334 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.544 ' CG ' ' O ' ' A' ' 1' ' ' VAL . 95.7 m-85 -164.23 51.33 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 74.24 110.981 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -176.95 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 74.13 109.57 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.82 -15.84 45.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 71.23 109.297 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.581 ' CG ' ' N ' ' A' ' 6' ' ' SER . 0.2 OUTLIER -170.41 -149.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 64.13 111.019 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.581 ' N ' ' CG ' ' A' ' 5' ' ' TYR . 75.0 m 39.68 90.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 73.31 110.004 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.492 ' CB ' ' NH2' ' A' ' 8' ' ' ARG . . . -58.89 -34.64 71.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.162 . . . . 73.21 109.324 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.557 ' N ' ' HE ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -63.24 -14.17 46.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 75.45 110.266 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.58 -36.17 3.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.438 1.086 . . . . 74.35 110.988 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.499 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -68.88 -49.64 61.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 74.25 109.244 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.499 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 7.6 ptm180 -59.25 -40.45 85.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 73.34 110.301 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 8' ' ' ARG . 1.4 m-80 -59.45 -21.96 60.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.1 . . . . 75.44 109.251 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -90.29 -17.14 27.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 74.11 109.27 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.616 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -81.06 -44.32 18.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 75.42 111.034 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.505 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.99 -19.01 15.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 73.42 109.32 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -73.48 -51.05 18.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 73.42 110.009 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.496 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.97 -13.24 44.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 73.52 109.329 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.532 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.1 t -77.51 -30.31 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 75.34 109.312 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.64 -57.64 17.81 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.525 1.141 . . . . 52.02 110.975 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.632 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.2 Cg_endo -75.03 -24.83 12.39 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.522 1.801 . . . . 74.45 110.984 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 17' ' ' ALA . . . -53.93 -25.1 18.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 65.23 109.343 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -71.9 -32.53 67.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 73.43 109.278 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.632 ' CD1' ' O ' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -72.44 -52.0 17.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 73.11 107.986 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.621 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -56.59 -52.98 46.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 73.05 109.29 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.503 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 1.0 OUTLIER -60.27 -34.56 57.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 64.54 109.302 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.419 ' N ' HG22 ' A' ' 25' ' ' ILE . 7.6 t -66.11 -43.98 85.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 74.14 109.976 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.8 -30.02 66.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 72.34 109.295 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' A' ' 24' ' ' VAL . 92.2 t -62.68 -51.5 71.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 75.32 109.271 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.428 ' HG2' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -70.66 -26.77 63.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 74.13 110.275 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.566 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -75.28 -34.66 50.59 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.515 1.134 . . . . 65.21 110.986 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.89 -26.96 43.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 0.783 . . . . 74.32 110.981 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.412 HG23 ' N ' ' A' ' 33' ' ' HIS . 0.3 OUTLIER -57.26 -41.66 78.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 74.41 109.296 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.566 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 32.0 p80 -82.8 -13.78 55.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 75.31 109.627 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.516 1.135 . . . . 64.4 110.992 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.302 -0.629 . . . . 73.31 109.302 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -157.08 38.97 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 74.44 110.972 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.434 ' CD2' ' C ' ' A' ' 3' ' ' HIS . 1.8 t60 -176.94 -38.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 74.12 109.565 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.76 -28.85 66.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 71.12 109.286 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.87 170.42 1.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 72.15 110.986 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.2 m 39.41 87.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 75.24 109.984 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.97 -34.68 75.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 72.51 109.253 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.669 ' N ' ' HE ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -62.31 -13.54 29.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 70.45 110.295 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.93 -37.96 3.27 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.501 1.126 . . . . 64.51 110.988 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.512 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -68.78 -50.02 58.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 0.792 . . . . 74.14 109.303 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.512 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 6.6 ptm180 -58.95 -40.49 84.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 74.32 110.304 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 8' ' ' ARG . 1.2 m-80 -59.35 -22.0 60.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 73.45 109.283 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -90.27 -17.29 27.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 71.33 109.285 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.6 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -81.05 -44.06 18.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 72.04 110.967 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.478 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.74 -18.94 14.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 75.24 109.299 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.49 -51.09 18.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 64.21 110.038 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.508 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.98 -13.23 44.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 70.04 109.287 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.529 HG23 ' CE1' ' A' ' 14' ' ' TYR . 3.1 t -77.51 -30.37 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 73.45 109.291 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.55 -57.68 17.56 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 75.41 110.979 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.625 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.2 Cg_endo -74.96 -24.79 12.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.452 1.764 . . . . 72.51 111.02 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -54.09 -24.98 19.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 73.35 109.258 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -72.01 -32.46 67.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.095 . . . . 75.14 109.278 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.625 ' CD1' ' O ' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -72.45 -52.0 17.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 73.55 107.996 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.618 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -56.52 -53.05 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 74.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.496 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 1.2 tp -60.22 -34.54 57.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 71.31 109.312 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.422 ' N ' HG21 ' A' ' 25' ' ' ILE . 7.2 t -66.15 -44.09 85.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 65.41 109.977 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.71 -30.08 66.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 72.21 109.305 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 24' ' ' VAL . 88.3 t -62.56 -51.59 70.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 73.45 109.299 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.428 ' HG2' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -70.68 -26.75 63.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 74.41 110.318 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.563 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -75.24 -34.53 51.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.519 1.137 . . . . 70.14 111.024 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.82 -26.94 44.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.781 . . . . 73.34 111.058 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.41 HG21 ' N ' ' A' ' 33' ' ' HIS . 0.3 OUTLIER -57.21 -41.63 78.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 72.03 109.304 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.563 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.8 p80 -82.95 -13.73 55.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 74.34 109.632 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.497 1.123 . . . . 71.21 110.985 -179.942 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 4' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.32 -0.622 . . . . 74.35 109.32 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -86.68 42.5 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 75.42 111.024 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -174.12 -44.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 73.35 109.577 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.468 ' HB2' ' CG2' ' A' ' 1' ' ' VAL . . . -78.82 -34.79 44.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 71.44 109.32 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 47.52 -175.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 72.04 110.989 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 m 41.84 91.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 73.12 109.991 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.413 ' CB ' ' NH2' ' A' ' 8' ' ' ARG . . . -58.82 -35.59 73.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 65.31 109.288 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.539 ' N ' ' HE ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -64.19 -14.35 54.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 74.5 110.278 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.37 -33.83 4.09 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.494 1.121 . . . . 71.23 110.988 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.502 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -66.81 -49.77 71.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 0.782 . . . . 71.44 109.265 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.502 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 6.4 ptm180 -65.1 -40.85 95.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 75.24 110.299 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 8' ' ' ARG . 1.5 m-80 -59.68 -21.64 60.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 74.34 109.251 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -90.65 -16.35 28.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 70.44 109.298 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.602 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -80.96 -44.1 18.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 74.42 110.984 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.485 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.12 -18.85 16.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 74.1 109.277 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.48 -51.07 18.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 71.3 109.976 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.503 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -64.01 -13.24 45.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.158 . . . . 73.2 109.301 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.542 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.1 t -77.51 -30.3 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 75.43 109.31 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.59 -57.7 17.48 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 61.15 110.953 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.621 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.3 Cg_endo -74.96 -24.82 12.55 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.477 1.778 . . . . 73.33 111.011 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -54.0 -24.97 18.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 65.1 109.307 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.99 -32.53 67.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 75.54 109.293 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.621 ' CD1' ' O ' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -72.39 -51.99 17.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 73.41 108.048 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.61 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -56.59 -52.98 46.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 74.3 109.254 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.5 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.9 OUTLIER -60.31 -34.52 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 72.24 109.307 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.417 ' N ' HG22 ' A' ' 25' ' ' ILE . 6.2 t -66.14 -44.06 85.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 72.42 110.006 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.72 -30.09 66.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 72.24 109.279 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 24' ' ' VAL . 91.2 t -62.58 -51.55 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 73.43 109.339 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.418 ' HG2' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -70.58 -26.89 63.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 73.2 110.272 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.56 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -75.21 -34.66 50.95 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.467 1.104 . . . . 72.44 110.983 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.82 -26.94 44.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 64.41 111.015 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.42 HG23 ' N ' ' A' ' 33' ' ' HIS . 0.3 OUTLIER -57.23 -41.67 78.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 75.21 109.287 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.56 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 32.0 p80 -82.89 -13.72 55.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 73.23 109.598 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.448 1.092 . . . . 72.44 111.018 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.514 ' CG2' ' N ' ' A' ' 2' ' ' PHE . 3.0 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.334 -0.617 . . . . 65.44 109.334 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.514 ' N ' ' CG2' ' A' ' 1' ' ' VAL . 2.0 t80 72.72 19.4 3.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 71.22 110.977 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.474 ' CD2' ' C ' ' A' ' 3' ' ' HIS . 0.2 OUTLIER -146.53 -46.82 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 74.3 109.591 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.74 -19.7 65.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 73.1 109.313 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' A' ' 5' ' ' TYR . 0.1 OUTLIER -74.8 -175.85 2.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 75.31 111.032 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.4 m -145.05 94.79 2.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 74.44 109.978 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.55 -34.43 74.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 64.35 109.309 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.514 ' N ' ' HE ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -65.18 -13.65 58.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 73.42 110.318 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.65 -33.38 4.16 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.462 1.101 . . . . 74.41 110.978 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.51 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -67.08 -49.78 70.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 73.14 109.343 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.51 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 7.1 ptm180 -65.1 -40.89 95.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 74.12 110.29 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 8' ' ' ARG . 1.5 m-80 -59.59 -21.7 60.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 74.14 109.319 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.418 ' N ' HD21 ' A' ' 13' ' ' ASN . 1.2 m-80 -90.58 -16.42 28.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 73.25 109.316 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.61 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -81.0 -44.25 18.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 73.42 110.993 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.492 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.18 -18.8 17.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 73.42 109.316 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.51 -50.9 19.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 70.1 109.973 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.495 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -64.0 -13.24 45.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 53.41 109.266 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.532 HG22 ' CE1' ' A' ' 14' ' ' TYR . 3.1 t -77.54 -30.31 16.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 71.13 109.3 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.59 -57.62 17.88 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.527 1.142 . . . . 45.43 111.002 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.624 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.2 Cg_endo -75.03 -24.84 12.39 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.46 1.768 . . . . 65.32 110.957 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 17' ' ' ALA . . . -53.98 -25.05 18.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 72.13 109.323 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.91 -32.53 67.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 72.24 109.321 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.624 ' CD1' ' O ' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -72.44 -52.01 17.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 72.05 107.987 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.615 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -56.55 -52.94 47.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 75.02 109.343 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.498 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 1.2 tp -60.34 -34.55 58.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 71.43 109.293 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.423 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 6.6 t -66.13 -43.97 85.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 74.02 110.001 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.79 -30.04 66.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 72.01 109.288 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.47 ' CG2' ' O ' ' A' ' 24' ' ' VAL . 92.4 t -62.67 -51.51 71.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 74.42 109.278 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.423 ' HD2' ' HA ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -70.64 -26.8 63.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 65.14 110.308 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.553 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -75.23 -34.75 50.63 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.507 1.129 . . . . 75.23 110.954 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.87 -26.97 44.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 0.794 . . . . 74.24 110.994 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.415 HG23 ' N ' ' A' ' 33' ' ' HIS . 0.3 OUTLIER -57.21 -41.65 78.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 74.33 109.285 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.553 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 32.1 p80 -82.85 -13.81 55.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 74.23 109.591 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.464 1.102 . . . . 72.12 111.037 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.407 ' CG2' ' CE1' ' A' ' 5' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.295 -0.632 . . . . 61.32 109.295 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 175.14 38.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 75.41 110.986 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -176.93 -38.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 72.24 109.642 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.6 -17.27 54.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 71.44 109.272 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.407 ' CE1' ' CG2' ' A' ' 1' ' ' VAL . 4.6 p90 -150.58 157.95 43.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 74.55 111.001 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.8 m -130.13 95.26 3.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 72.23 109.976 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.502 ' CB ' ' NH2' ' A' ' 8' ' ' ARG . . . -59.31 -34.36 72.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 73.2 109.316 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.502 ' NH2' ' CB ' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -65.84 -12.82 57.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 74.41 110.289 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.43 -28.61 4.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.511 1.132 . . . . 61.21 110.987 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.506 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -68.77 -49.69 61.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 0.736 . . . . 75.55 109.318 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.506 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 0.7 OUTLIER -66.28 -41.17 90.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 73.32 110.317 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.519 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 2.3 m-80 -61.69 -20.03 63.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 74.51 109.295 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -91.91 -12.44 33.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 65.13 109.313 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.597 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -81.32 -48.34 12.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 64.24 110.971 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.541 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -66.01 -16.09 63.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 70.45 109.331 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.415 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 20.0 t -72.17 -58.38 3.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 73.24 110.017 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.51 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.96 -13.19 44.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 44.44 109.308 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.0 t -77.54 -31.01 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 75.14 109.286 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.83 -57.52 17.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.466 1.104 . . . . 72.03 111.011 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.618 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.3 Cg_endo -75.04 -25.45 11.78 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.513 1.796 . . . . 63.04 110.98 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.409 ' HB1' ' O ' ' A' ' 17' ' ' ALA . . . -53.26 -24.78 12.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 70.32 109.306 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.4 OUTLIER -71.19 -34.25 70.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 74.21 109.297 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.618 ' CD1' ' O ' ' A' ' 20' ' ' PRO . 0.6 OUTLIER -72.29 -51.13 22.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 73.12 107.978 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.599 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.66 -51.66 63.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 71.41 109.335 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.488 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.9 OUTLIER -64.85 -33.31 62.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 72.03 109.299 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.502 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 6.6 t -67.74 -36.78 81.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 62.5 109.976 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.61 -32.12 69.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 65.31 109.292 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.4 t -69.05 -52.75 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 71.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.502 ' CD ' ' HA ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -70.88 -26.49 63.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 74.3 110.33 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.572 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -72.77 -36.14 58.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.547 1.154 . . . . 73.25 110.999 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.19 -28.06 42.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 0.746 . . . . 71.45 110.985 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.436 HG23 ' N ' ' A' ' 33' ' ' HIS . 0.3 OUTLIER -56.87 -41.72 76.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 75.54 109.282 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.572 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.0 p80 -81.83 -14.15 56.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 72.12 109.62 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.53 1.144 . . . . 72.55 111.008 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 20.8 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.287 -0.634 . . . . 73.13 109.287 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.488 ' O ' ' CD2' ' A' ' 2' ' ' PHE . 8.2 p90 -167.95 39.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 73.41 111.016 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.467 ' CD2' ' C ' ' A' ' 3' ' ' HIS . 0.4 OUTLIER -176.87 -38.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 73.02 109.58 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.49 -50.98 14.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 70.21 109.324 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 49.25 -170.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 74.41 111.001 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 m 43.04 92.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 53.41 110.059 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.419 ' CB ' ' NH2' ' A' ' 8' ' ' ARG . . . -60.02 -34.46 73.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 73.11 109.291 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.525 ' N ' ' HE ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -65.76 -13.81 60.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 73.33 110.288 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.89 -31.44 4.17 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 44.33 110.988 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.504 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -67.06 -49.84 69.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 75.42 109.303 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.504 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 1.3 ptt180 -66.98 -41.01 87.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 74.51 110.29 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 8' ' ' ARG . 1.7 m-80 -59.49 -21.77 60.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 54.4 109.314 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.446 ' N ' HD21 ' A' ' 13' ' ' ASN . 1.1 m-80 -90.56 -16.43 28.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 74.43 109.306 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.598 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -80.94 -44.08 18.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 75.14 110.994 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.491 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.09 -18.86 16.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 75.24 109.328 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.48 -51.09 18.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 75.2 110.051 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.51 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.98 -13.16 44.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.103 . . . . 52.34 109.312 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.532 HG22 ' CE1' ' A' ' 14' ' ' TYR . 3.2 t -77.61 -29.93 16.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 71.34 109.34 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.95 -57.47 18.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.568 1.168 . . . . 63.43 111.021 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.627 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.4 Cg_endo -74.92 -25.06 12.4 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.465 1.771 . . . . 74.51 111.049 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 17' ' ' ALA . . . -54.97 -23.87 21.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 73.24 109.288 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.2 -30.97 62.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 55.55 109.289 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.627 ' CD1' ' O ' ' A' ' 20' ' ' PRO . 0.4 OUTLIER -72.44 -52.5 15.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 74.54 107.977 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.615 ' N ' ' CD2' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -56.54 -52.8 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 75.5 109.283 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.499 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 1.5 tt -60.07 -34.43 56.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 75.52 109.297 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.42 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 6.4 t -66.47 -44.18 83.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 74.51 110.022 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.7 -30.04 66.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 72.33 109.291 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.463 ' CG2' ' O ' ' A' ' 24' ' ' VAL . 90.0 t -62.51 -51.64 69.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 73.54 109.313 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.42 ' HD2' ' HA ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -70.69 -26.78 63.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 74.21 110.305 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.563 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -75.21 -34.56 51.2 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.458 1.099 . . . . 64.24 111.012 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.87 -26.93 43.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.771 . . . . 74.23 111.013 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 33' ' ' HIS . 0.3 OUTLIER -57.17 -41.65 78.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.177 . . . . 62.25 109.313 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.563 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.9 p80 -82.98 -13.68 55.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 75.41 109.627 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 75.11 111.016 179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.607 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.515 0.198 . . . . 64.33 111.025 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.495 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.08 -18.82 16.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 71.42 109.299 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.52 -50.97 18.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 73.45 110.007 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.504 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.9 -13.29 44.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 75.24 109.273 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.491 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.0 t -77.47 -30.95 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 63.04 109.351 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.82 -57.64 17.06 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 50.54 111.0 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.622 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.4 Cg_endo -74.97 -25.42 11.95 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.515 1.797 . . . . 74.44 110.996 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.24 -24.85 12.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 74.24 109.331 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.7 OUTLIER -71.1 -34.22 70.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 74.43 109.321 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.823 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.7 OUTLIER -72.23 -51.21 22.03 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.975 -1.12 . . . . 70.14 107.975 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.823 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -56.65 -51.66 63.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 71.05 109.326 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.493 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -64.8 -33.38 63.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 72.02 109.331 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 6.7 t -67.61 -36.94 81.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 70.33 109.976 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.59 -32.05 69.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 73.31 109.292 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.9 t . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 72.25 109.338 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.616 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.495 0.188 . . . . 73.1 110.998 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.49 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.11 -18.83 16.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 72.34 109.292 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.48 -51.02 18.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 64.04 110.034 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.495 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.98 -13.15 44.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 65.21 109.261 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.498 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.0 t -77.62 -30.88 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 60.04 109.279 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.87 -57.56 17.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.453 1.095 . . . . 61.13 110.983 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.622 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.4 Cg_endo -75.0 -25.44 11.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 75.34 111.022 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.28 -24.84 12.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 72.1 109.262 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.8 t0 -71.11 -34.24 70.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 71.04 109.291 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.825 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.6 OUTLIER -72.25 -51.2 22.04 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.984 -1.117 . . . . 75.45 107.984 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.825 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.63 -51.69 62.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.08 . . . . 72.2 109.281 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.492 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.3 OUTLIER -64.86 -33.28 62.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 53.21 109.289 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 6.6 t -67.65 -36.92 81.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 65.33 109.99 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.59 -32.06 69.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 62.31 109.261 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.8 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 51.03 109.313 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.599 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.537 0.208 . . . . 73.33 111.022 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.486 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.1 -18.85 16.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 64.2 109.273 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -73.54 -51.13 18.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 74.04 109.959 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.501 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.92 -13.23 43.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 61.1 109.313 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.494 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.0 t -77.53 -30.96 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 71.13 109.307 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.81 -57.55 17.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.536 1.147 . . . . 73.54 111.016 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.618 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.2 Cg_endo -74.99 -25.42 11.9 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.53 1.805 . . . . 65.33 111.008 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.32 -24.77 12.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 64.14 109.297 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.5 OUTLIER -71.14 -34.21 70.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 63.14 109.312 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.828 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.6 OUTLIER -72.27 -51.24 21.79 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.987 -1.116 . . . . 71.24 107.987 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.828 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.62 -51.66 63.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 64.14 109.279 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.49 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -64.87 -33.32 62.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 75.21 109.315 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 7.0 t -67.61 -36.97 81.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 43.44 110.026 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.53 -32.09 69.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 34.51 109.286 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.7 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 64.32 109.298 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.598 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.531 0.205 . . . . 75.34 111.018 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.49 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.0 -18.89 15.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 64.24 109.333 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.39 -51.05 18.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 74.42 110.031 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.505 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -64.06 -13.12 44.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 74.2 109.283 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.504 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.0 t -77.55 -31.05 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 75.01 109.293 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.73 -57.56 17.27 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 71.51 110.981 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.616 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.2 Cg_endo -74.99 -25.54 11.79 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.478 1.778 . . . . 33.22 110.987 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.484 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.15 -24.84 11.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 75.13 109.292 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.488 ' O ' ' CB ' ' A' ' 26' ' ' SER . 4.0 t0 -71.07 -34.39 71.14 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 52.32 109.274 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.82 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.7 OUTLIER -72.24 -51.06 22.71 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.967 -1.123 . . . . 75.22 107.967 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.82 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.66 -51.61 64.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 61.22 109.281 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.492 ' N ' HG12 ' A' ' 24' ' ' VAL . 1.4 tp -64.77 -33.33 62.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 74.24 109.298 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 3.7 m -67.73 -36.9 81.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 63.24 109.998 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.57 -32.04 69.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 75.31 109.297 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.3 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 74.33 109.277 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.598 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.426 0.155 . . . . 74.34 110.959 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.504 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.12 -19.64 14.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 72.2 109.249 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -50.66 20.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 61.43 110.013 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.505 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.95 -13.25 44.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 71.11 109.334 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.512 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.1 t -77.5 -30.93 17.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 74.13 109.324 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.83 -57.57 17.38 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 72.43 111.009 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.617 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.3 Cg_endo -75.0 -25.51 11.79 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 74.42 111.008 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.18 -24.85 11.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 71.53 109.258 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.488 ' O ' ' CB ' ' A' ' 26' ' ' SER . 3.5 t0 -71.06 -34.36 71.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 74.35 109.307 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.82 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.7 OUTLIER -72.2 -51.1 22.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 72.43 108.04 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.82 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.68 -51.54 65.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 74.43 109.324 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.493 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.7 OUTLIER -64.86 -33.23 62.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 73.44 109.332 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 3.7 m -67.77 -36.91 81.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 61.25 109.984 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.55 -32.04 69.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 54.1 109.314 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.6 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 33.15 109.288 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.598 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.494 0.188 . . . . 70.44 110.984 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.507 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.48 -18.96 13.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 44.45 109.313 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.24 -51.23 18.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 72.44 110.03 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.505 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.99 -13.19 44.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 74.31 109.309 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.507 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.0 t -77.54 -30.91 17.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 64.34 109.269 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.86 -57.59 17.34 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.131 . . . . 74.13 111.009 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.619 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.2 Cg_endo -75.01 -25.41 11.88 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.556 1.819 . . . . 65.11 111.022 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.22 -24.87 12.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 71.05 109.347 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.1 t70 -71.07 -34.26 71.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 70.12 109.303 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.821 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.7 OUTLIER -72.28 -51.21 21.88 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.953 -1.128 . . . . 75.21 107.953 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.821 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.59 -51.68 62.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 72.34 109.308 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.494 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.3 OUTLIER -64.88 -33.29 62.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 72.04 109.306 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 6.7 t -67.72 -36.83 81.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 73.15 110.006 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.6 -32.03 69.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 64.41 109.33 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.5 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 40.11 109.274 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.603 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.481 0.181 . . . . 71.5 111.007 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.484 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.64 -19.05 14.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 74.54 109.264 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -73.55 -50.89 19.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 73.01 109.998 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.507 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.99 -13.16 44.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 24.22 109.322 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.489 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.0 t -77.53 -30.99 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 73.02 109.28 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.85 -57.54 17.55 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 24.05 111.014 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.624 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.3 Cg_endo -74.99 -25.45 11.88 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.442 1.759 . . . . 75.22 111.037 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.28 -24.74 12.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 64.41 109.293 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.2 t70 -71.16 -34.29 70.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 63.44 109.303 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.826 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.7 OUTLIER -72.19 -51.22 22.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 74.25 108.021 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.826 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -56.6 -51.72 62.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 75.12 109.327 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.483 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.5 OUTLIER -64.83 -33.32 62.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 73.5 109.328 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 6.9 t -67.64 -36.88 81.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 72.35 109.983 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.6 -32.1 69.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 60.41 109.27 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.9 t . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 64.02 109.309 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.607 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.456 0.17 . . . . 72.33 110.998 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.508 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -55.99 -19.71 13.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 73.1 109.327 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 p -73.6 -50.7 19.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 72.53 109.968 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.504 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.93 -13.27 44.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 74.24 109.323 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.514 HG21 ' HE1' ' A' ' 14' ' ' TYR . 3.1 t -77.48 -30.85 17.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 71.21 109.312 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.94 -57.63 17.32 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.471 1.107 . . . . 65.11 110.988 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.614 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.3 Cg_endo -74.98 -25.4 11.94 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 61.33 111.0 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.33 -24.79 12.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 72.34 109.279 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -71.19 -34.2 70.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 75.52 109.288 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.829 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.6 OUTLIER -72.26 -51.18 22.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 73.51 108.033 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.829 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.66 -51.62 64.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 52.35 109.314 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.493 ' N ' HG12 ' A' ' 24' ' ' VAL . 2.7 tp -64.91 -33.26 62.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 74.14 109.331 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 6.9 t -67.69 -36.9 81.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 63.53 109.995 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.53 -32.11 69.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 71.02 109.32 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.5 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 73.33 109.273 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.61 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.531 0.205 . . . . 64.51 111.021 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.506 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.65 -19.01 14.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.504 1.127 . . . . 72.42 109.343 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.8 t -73.55 -50.94 18.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 71.33 109.984 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.509 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -64.02 -13.17 44.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 74.44 109.313 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.5 HG21 ' HE1' ' A' ' 14' ' ' TYR . 3.0 t -77.54 -30.9 17.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 65.01 109.29 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.8 -57.63 17.11 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.115 . . . . 31.15 110.992 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.623 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.2 Cg_endo -75.0 -25.43 11.86 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.488 1.783 . . . . 71.34 110.98 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.31 -24.79 12.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 71.13 109.269 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -71.18 -34.2 70.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 71.13 109.285 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.83 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.6 OUTLIER -72.27 -51.15 22.17 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.03 -1.1 . . . . 75.5 108.03 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.83 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.64 -51.68 63.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 72.13 109.291 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.494 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -64.84 -33.39 63.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 65.51 109.279 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 6.9 t -67.61 -36.91 81.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 74.13 109.99 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.56 -32.09 69.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 73.31 109.338 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.9 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 72.31 109.32 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.614 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.489 0.185 . . . . 74.32 111.046 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.504 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.87 -18.55 13.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 72.03 109.295 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.45 -51.64 16.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 71.31 109.996 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.513 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.96 -13.11 43.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.436 1.085 . . . . 73.45 109.297 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.537 HG21 ' HE1' ' A' ' 14' ' ' TYR . 3.1 t -77.72 -30.15 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 63.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.65 -57.47 18.6 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 32.4 110.977 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.625 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.5 Cg_endo -74.97 -25.27 12.07 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 64.21 111.04 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -54.59 -23.8 18.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 61.13 109.293 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -73.87 -31.91 63.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 72.34 109.273 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.849 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -72.18 -52.23 17.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 73.42 107.991 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.849 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.63 -51.48 65.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 75.23 109.288 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.486 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -64.34 -32.98 59.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 74.22 109.274 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 6.8 t -68.26 -37.44 80.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 61.21 110.013 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.56 -32.1 69.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 73.24 109.33 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.6 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 64.42 109.265 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.605 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.44 0.162 . . . . 73.21 111.008 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.544 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -66.0 -16.14 63.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 52.22 109.33 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.401 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -69.54 -58.3 4.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 74.14 109.981 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.5 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -64.0 -13.14 44.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 64.2 109.292 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.0 t -77.57 -31.01 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 70.32 109.309 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.7 -57.59 17.08 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.521 1.138 . . . . 63.21 111.011 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.62 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.4 Cg_endo -74.98 -25.48 11.86 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 74.15 111.02 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.28 -24.76 12.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 70.31 109.317 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.7 OUTLIER -71.08 -34.34 71.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 74.25 109.342 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.82 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.7 OUTLIER -72.25 -51.07 22.62 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.011 -1.107 . . . . 64.53 108.011 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.82 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.65 -51.56 64.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 72.25 109.287 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.494 ' N ' HG12 ' A' ' 24' ' ' VAL . 1.8 tp -64.87 -33.3 62.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 61.52 109.32 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 3.7 m -67.7 -36.91 81.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 62.12 110.005 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.58 -32.02 69.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 62.52 109.277 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.5 t . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 64.44 109.28 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.607 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.492 0.187 . . . . 74.34 111.011 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.538 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -66.07 -16.23 63.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 64.45 109.291 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.42 -42.68 61.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 75.41 109.993 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.505 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -77.81 -13.93 59.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 64.23 109.292 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.463 HG21 ' HE1' ' A' ' 14' ' ' TYR . 3.1 t -77.5 -30.97 17.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 72.14 109.282 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.86 -57.57 17.46 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.516 1.135 . . . . 63.0 110.951 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.616 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.4 Cg_endo -75.01 -25.4 11.88 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.514 1.797 . . . . 64.04 111.026 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.31 -24.84 12.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 62.23 109.301 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.2 t70 -71.1 -34.17 70.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 63.43 109.342 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.808 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.7 OUTLIER -72.24 -51.29 21.68 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.968 -1.123 . . . . 63.52 107.968 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.808 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.58 -51.67 62.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 74.21 109.313 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.493 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -64.87 -33.28 62.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.095 . . . . 62.24 109.333 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 6.8 t -67.73 -36.88 81.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 52.3 109.97 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.57 -32.11 69.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 72.23 109.276 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 24' ' ' VAL . 99.6 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 61.14 109.306 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.6 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.468 0.175 . . . . 71.11 110.977 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.492 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.81 -19.02 14.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 74.2 109.317 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.58 -50.8 19.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 72.3 109.982 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.503 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -64.01 -13.23 45.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 73.13 109.277 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.496 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.1 t -77.56 -30.37 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 64.11 109.305 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.51 -57.66 17.6 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.474 1.109 . . . . 64.24 111.009 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.625 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.3 Cg_endo -75.0 -24.82 12.45 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.566 1.824 . . . . 51.04 111.005 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.491 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.96 -25.0 18.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 53.43 109.308 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.97 -32.49 67.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 75.53 109.292 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.862 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -72.48 -51.98 17.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 73.53 107.989 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.984 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -56.62 -52.93 47.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 74.14 109.282 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.524 ' N ' HG12 ' A' ' 24' ' ' VAL . 3.2 tp -60.27 -34.59 57.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 74.3 109.337 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.9 t -66.01 -44.14 85.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 64.55 110.026 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.69 -30.07 66.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 65.44 109.329 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.984 HG23 ' O ' ' A' ' 24' ' ' VAL . 90.6 t . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 71.34 109.348 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.601 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.51 0.195 . . . . 64.33 111.017 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.491 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.22 -18.82 17.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 75.52 109.32 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.57 -50.79 19.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 73.23 110.009 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.509 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.94 -13.28 44.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 55.24 109.339 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.467 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.1 t -77.53 -30.27 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 53.33 109.282 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.6 -57.67 17.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.458 1.099 . . . . 63.21 110.989 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.63 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.4 Cg_endo -75.0 -24.78 12.5 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.45 1.763 . . . . 71.12 111.016 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -54.03 -25.03 19.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.077 . . . . 53.35 109.285 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -71.91 -32.52 67.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 64.44 109.296 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.864 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -72.48 -51.96 17.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 73.01 108.018 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.988 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -56.6 -52.91 47.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 74.2 109.304 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.506 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -60.32 -34.6 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 73.33 109.29 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.8 t -66.0 -44.11 85.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 31.25 110.036 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.75 -30.03 66.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 51.22 109.309 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.988 HG23 ' O ' ' A' ' 24' ' ' VAL . 89.3 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 63.31 109.318 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.616 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.479 0.181 . . . . 75.42 111.034 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.505 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.99 -19.01 15.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 73.42 109.32 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -73.48 -51.05 18.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 62.21 110.009 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.496 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.97 -13.24 44.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 73.52 109.329 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.489 HG21 ' HE1' ' A' ' 14' ' ' TYR . 3.1 t -77.51 -30.31 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 75.34 109.312 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.64 -57.64 17.81 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.525 1.141 . . . . 52.02 110.975 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.632 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.2 Cg_endo -75.03 -24.83 12.39 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.522 1.801 . . . . 54.54 110.984 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.491 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.93 -25.1 18.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 64.02 109.343 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -71.9 -32.53 67.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 72.24 109.278 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.863 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -72.44 -52.0 17.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 72.41 107.986 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 1.004 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -56.59 -52.98 46.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 73.05 109.29 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.522 ' N ' HG12 ' A' ' 24' ' ' VAL . 1.0 OUTLIER -60.27 -34.56 57.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 61.42 109.302 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.6 t -66.11 -43.98 85.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 74.14 109.976 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.8 -30.02 66.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 55.45 109.295 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 1.004 HG23 ' O ' ' A' ' 24' ' ' VAL . 92.2 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 51.32 109.271 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.6 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.494 0.187 . . . . 72.04 110.967 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.478 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.74 -18.94 14.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 71.33 109.299 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.49 -51.09 18.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 54.54 110.038 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.508 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.98 -13.23 44.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 70.04 109.287 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.504 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.1 t -77.51 -30.37 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 73.45 109.291 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.55 -57.68 17.56 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 43.43 110.979 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.625 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.2 Cg_endo -74.96 -24.79 12.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.452 1.764 . . . . 72.51 111.02 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -54.09 -24.98 19.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 73.35 109.258 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -72.01 -32.46 67.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.095 . . . . 53.34 109.278 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.859 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -72.45 -52.0 17.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 73.03 107.996 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.981 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -56.52 -53.05 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 74.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.508 ' N ' HG12 ' A' ' 24' ' ' VAL . 1.2 tp -60.22 -34.54 57.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 65.22 109.312 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.2 t -66.15 -44.09 85.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 64.15 109.977 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.71 -30.08 66.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 72.21 109.305 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.981 HG23 ' O ' ' A' ' 24' ' ' VAL . 88.3 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 70.11 109.299 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.602 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.522 0.201 . . . . 74.42 110.984 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.485 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.12 -18.85 16.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 73.22 109.277 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.48 -51.07 18.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 51.21 109.976 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.503 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -64.01 -13.24 45.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.158 . . . . 73.2 109.301 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.499 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.1 t -77.51 -30.3 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 73.13 109.31 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.59 -57.7 17.48 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 43.35 110.953 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.621 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.3 Cg_endo -74.96 -24.82 12.55 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.477 1.778 . . . . 73.33 111.011 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -54.0 -24.97 18.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 24.43 109.307 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.99 -32.53 67.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 74.5 109.293 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.866 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -72.39 -51.99 17.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 73.41 108.048 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.99 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -56.59 -52.98 46.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 74.3 109.254 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.522 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -60.31 -34.52 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 61.3 109.307 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.2 t -66.14 -44.06 85.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 72.42 110.006 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.72 -30.09 66.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 71.44 109.279 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.99 HG23 ' O ' ' A' ' 24' ' ' VAL . 91.2 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 73.43 109.339 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.61 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.5 0.19 . . . . 73.42 110.993 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.492 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.18 -18.8 17.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 71.21 109.316 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.51 -50.9 19.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 70.1 109.973 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.495 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -64.0 -13.24 45.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 52.23 109.266 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.472 HG21 ' HE1' ' A' ' 14' ' ' TYR . 3.1 t -77.54 -30.31 16.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 45.54 109.3 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.59 -57.62 17.88 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.527 1.142 . . . . 45.43 111.002 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.624 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.2 Cg_endo -75.03 -24.84 12.39 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.46 1.768 . . . . 53.41 110.957 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.98 -25.05 18.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 72.13 109.323 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.91 -32.53 67.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 52.22 109.321 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.856 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -72.44 -52.01 17.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 62.53 107.987 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 1.009 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -56.55 -52.94 47.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 71.21 109.343 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.509 ' N ' HG12 ' A' ' 24' ' ' VAL . 1.2 tp -60.34 -34.55 58.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 61.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.6 t -66.13 -43.97 85.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 74.02 110.001 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.79 -30.04 66.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 72.01 109.288 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 1.009 HG23 ' O ' ' A' ' 24' ' ' VAL . 92.4 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 73.03 109.278 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.597 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.498 0.19 . . . . 63.35 110.971 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.541 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -66.01 -16.09 63.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 62.31 109.331 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.414 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 20.0 t -72.17 -58.38 3.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 73.24 110.017 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.509 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.96 -13.19 44.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 44.44 109.308 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.42 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.0 t -77.54 -31.01 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 75.14 109.286 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.83 -57.52 17.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.466 1.104 . . . . 71.12 111.011 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.618 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.3 Cg_endo -75.04 -25.45 11.78 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.513 1.796 . . . . 60.25 110.98 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.26 -24.78 12.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 70.32 109.306 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.4 OUTLIER -71.19 -34.25 70.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 74.21 109.297 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.829 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.6 OUTLIER -72.29 -51.13 22.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 73.12 107.978 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.829 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.66 -51.66 63.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 55.44 109.335 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.493 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -64.85 -33.31 62.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 71.13 109.299 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 6.6 t -67.74 -36.78 81.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 62.5 109.976 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.61 -32.12 69.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 44.45 109.292 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.4 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 61.14 109.283 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.598 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.497 0.189 . . . . 75.14 110.994 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.491 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.09 -18.86 16.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 75.24 109.328 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.48 -51.09 18.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 75.2 110.051 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.51 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.98 -13.16 44.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.103 . . . . 45.42 109.312 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.509 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.2 t -77.61 -29.93 16.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 71.24 109.34 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.95 -57.47 18.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.568 1.168 . . . . 63.43 111.021 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.627 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.4 Cg_endo -74.92 -25.06 12.4 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.465 1.771 . . . . 60.52 111.049 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.484 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -54.97 -23.87 21.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 54.21 109.288 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.2 -30.97 62.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 55.55 109.289 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.862 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.4 OUTLIER -72.44 -52.5 15.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 74.54 107.977 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.997 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -56.54 -52.8 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 75.5 109.283 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.51 ' N ' HG12 ' A' ' 24' ' ' VAL . 1.5 tt -60.07 -34.43 56.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 73.21 109.297 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.4 t -66.47 -44.18 83.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 74.51 110.022 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.7 -30.04 66.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 54.24 109.291 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.997 HG23 ' O ' ' A' ' 24' ' ' VAL . 90.0 t . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 63.35 109.313 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.255 -0.646 . . . . 64.53 109.255 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -157.69 53.66 0.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 74.23 110.974 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -176.91 -38.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 73.1 109.625 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.4 -16.63 64.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 72.31 109.31 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -74.36 177.96 5.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 72.35 111.017 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -147.09 94.85 2.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 75.42 109.995 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.647 ' HB3' ' NH2' ' A' ' 8' ' ' ARG . . . -59.11 -34.4 71.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 74.41 109.324 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.647 ' NH2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -65.37 -13.63 59.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.165 . . . . 51.44 110.308 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.55 -32.86 3.78 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.456 1.098 . . . . 74.22 110.99 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.506 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -65.53 -49.85 75.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 0.757 . . . . 71.52 109.257 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.506 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 4.0 ptm180 -66.3 -40.92 90.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 75.15 110.312 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -59.6 -21.71 60.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 65.11 109.343 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -90.58 -16.37 28.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 74.13 109.348 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.607 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -80.97 -44.05 18.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 64.33 111.025 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.495 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.08 -18.82 16.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 71.42 109.299 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.52 -50.97 18.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 73.45 110.007 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.504 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.9 -13.29 44.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 75.24 109.273 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.491 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.0 t -77.47 -30.95 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 63.04 109.351 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.82 -57.64 17.06 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 50.54 111.0 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.622 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.4 Cg_endo -74.97 -25.42 11.95 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.515 1.797 . . . . 74.44 110.996 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.24 -24.85 12.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 74.24 109.331 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.7 OUTLIER -71.1 -34.22 70.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 74.43 109.321 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.823 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.7 OUTLIER -72.23 -51.21 22.03 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.975 -1.12 . . . . 70.14 107.975 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.823 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -56.65 -51.66 63.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 71.05 109.326 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.493 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -64.8 -33.38 63.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 72.02 109.331 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 6.7 t -67.61 -36.94 81.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 70.33 109.976 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.59 -32.05 69.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 73.31 109.292 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.9 t -69.01 -52.75 30.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 72.25 109.338 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.591 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.95 -26.45 63.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 75.53 110.313 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.576 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -72.76 -36.16 58.18 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.507 1.129 . . . . 73.31 111.029 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.12 -28.1 42.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 0.735 . . . . 73.34 111.046 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.591 HG22 ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -56.81 -41.72 76.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 52.54 109.354 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.576 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.0 p80 -81.78 -14.21 56.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 74.41 109.605 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.453 1.095 . . . . 62.35 111.015 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.7 m . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.267 -0.642 . . . . 73.04 109.267 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.549 ' O ' ' CD2' ' A' ' 2' ' ' PHE . 33.3 p90 -169.25 39.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 73.14 110.981 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.89 -38.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 74.52 109.601 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.76 -45.67 49.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 71.54 109.28 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.529 ' CD1' ' C ' ' A' ' 5' ' ' TYR . 2.2 p90 -70.45 151.14 45.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 54.33 110.993 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 m -159.23 94.82 1.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 60.4 109.987 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.522 ' HB3' ' NH2' ' A' ' 8' ' ' ARG . . . -59.38 -34.45 72.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 60.34 109.35 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.522 ' NH2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -65.1 -13.8 58.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 72.54 110.331 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.68 -32.78 3.77 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.512 1.132 . . . . 73.44 110.992 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.502 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -65.59 -49.78 75.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 73.14 109.274 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.502 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 1.0 OUTLIER -66.58 -40.97 89.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 64.42 110.303 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -59.53 -21.73 60.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 71.43 109.295 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -90.58 -16.51 28.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 71.51 109.279 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.616 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -81.03 -44.07 18.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 73.1 110.998 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.49 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.11 -18.83 16.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 72.34 109.292 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.48 -51.02 18.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 64.04 110.034 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.495 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.98 -13.15 44.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 65.21 109.261 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.498 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.0 t -77.62 -30.88 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 60.04 109.279 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.87 -57.56 17.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.453 1.095 . . . . 61.13 110.983 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.622 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.4 Cg_endo -75.0 -25.44 11.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 75.34 111.022 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.28 -24.84 12.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 72.1 109.262 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.8 t0 -71.11 -34.24 70.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 71.04 109.291 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.825 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.6 OUTLIER -72.25 -51.2 22.04 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.984 -1.117 . . . . 75.45 107.984 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.825 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.63 -51.69 62.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.08 . . . . 72.2 109.281 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.492 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.3 OUTLIER -64.86 -33.28 62.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 53.21 109.289 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.498 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 6.6 t -67.65 -36.92 81.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 65.33 109.99 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.59 -32.06 69.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 62.31 109.261 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.8 t -69.04 -52.75 30.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 51.03 109.313 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.583 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.88 -26.54 63.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 71.21 110.334 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.571 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -72.73 -36.18 58.3 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 43.51 111.007 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.15 -28.11 42.79 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 0.785 . . . . 64.24 110.991 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.583 HG22 ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -56.8 -41.76 76.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 75.51 109.32 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.571 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.1 p80 -81.82 -14.17 56.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 63.43 109.585 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.544 1.153 . . . . 63.32 111.051 179.954 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.748 HG21 ' HB3' ' A' ' 4' ' ' ALA . 3.4 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.277 -0.638 . . . . 62.44 109.277 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.55 ' H ' HG12 ' A' ' 1' ' ' VAL . 2.9 m-30 -86.48 15.2 5.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 73.2 111.018 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -176.91 -38.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 74.24 109.597 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.748 ' HB3' HG21 ' A' ' 1' ' ' VAL . . . -65.68 -24.83 67.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 64.13 109.334 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -176.3 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 73.34 110.971 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.0 m 40.66 91.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 64.34 110.003 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.676 ' HB3' ' NH2' ' A' ' 8' ' ' ARG . . . -59.18 -34.37 72.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 74.2 109.304 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.676 ' NH2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -64.41 -13.7 52.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 74.12 110.287 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.06 -31.44 4.12 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.523 1.14 . . . . 31.22 110.996 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.503 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -67.51 -49.78 67.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 0.765 . . . . 63.14 109.323 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.503 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 0.7 OUTLIER -66.46 -40.94 89.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 64.14 110.273 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -59.64 -21.61 60.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 75.44 109.296 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -90.62 -16.39 28.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.589 1.181 . . . . 55.4 109.331 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.599 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -80.99 -44.17 18.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 73.33 111.022 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.486 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.1 -18.85 16.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 64.2 109.273 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -73.54 -51.13 18.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 74.04 109.959 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.501 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.92 -13.23 43.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 61.1 109.313 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.494 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.0 t -77.53 -30.96 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 71.13 109.307 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.81 -57.55 17.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.536 1.147 . . . . 73.54 111.016 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.618 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.2 Cg_endo -74.99 -25.42 11.9 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.53 1.805 . . . . 65.33 111.008 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.32 -24.77 12.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 64.14 109.297 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.5 OUTLIER -71.14 -34.21 70.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 63.14 109.312 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.828 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.6 OUTLIER -72.27 -51.24 21.79 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.987 -1.116 . . . . 71.24 107.987 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.828 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.62 -51.66 63.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 64.14 109.279 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.49 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -64.87 -33.32 62.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 75.21 109.315 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 7.0 t -67.61 -36.97 81.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 43.44 110.026 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.53 -32.09 69.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 34.51 109.286 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.7 t -69.05 -52.72 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 64.32 109.298 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.59 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.95 -26.4 63.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.163 . . . . 75.32 110.341 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.579 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -72.8 -36.14 58.05 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.496 1.122 . . . . 72.22 111.012 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.19 -28.13 42.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 0.777 . . . . 73.14 110.965 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.59 HG22 ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -56.74 -41.71 75.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 70.4 109.326 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.579 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.1 p80 -81.88 -14.18 56.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 74.41 109.584 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.545 1.153 . . . . 72.53 111.02 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.334 -0.617 . . . . 51.5 109.334 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.538 ' O ' ' CD2' ' A' ' 2' ' ' PHE . 33.7 p90 -164.9 44.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 65.23 110.975 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -176.92 -38.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 64.01 109.589 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.63 -39.44 80.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 71.23 109.29 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 49.54 -177.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 74.2 110.988 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 m 44.26 93.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 65.31 110.001 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.711 ' HB3' ' NH2' ' A' ' 8' ' ' ARG . . . -58.6 -35.05 71.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 72.55 109.279 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.711 ' NH2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -65.55 -15.5 62.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 72.35 110.291 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.52 -31.79 4.77 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.106 . . . . 62.42 110.973 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.504 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -68.12 -49.83 63.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.761 . . . . 75.41 109.288 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.504 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 8.2 ptm180 -65.14 -40.9 95.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 72.44 110.341 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -59.55 -21.69 60.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 64.55 109.327 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -90.57 -16.4 28.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 73.44 109.344 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.598 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -80.93 -44.14 18.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 75.34 111.018 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.49 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.0 -18.89 15.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 64.24 109.333 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.39 -51.05 18.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 74.42 110.031 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.505 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -64.06 -13.12 44.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 74.2 109.283 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.504 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.0 t -77.55 -31.05 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 75.01 109.293 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.73 -57.56 17.27 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 71.51 110.981 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.616 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.2 Cg_endo -74.99 -25.54 11.79 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.478 1.778 . . . . 33.22 110.987 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.484 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.15 -24.84 11.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 75.13 109.292 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.488 ' O ' ' CB ' ' A' ' 26' ' ' SER . 4.0 t0 -71.07 -34.39 71.14 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 52.32 109.274 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.82 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.7 OUTLIER -72.24 -51.06 22.71 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.967 -1.123 . . . . 75.22 107.967 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.82 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.66 -51.61 64.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 61.22 109.281 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.492 ' N ' HG12 ' A' ' 24' ' ' VAL . 1.4 tp -64.77 -33.33 62.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 74.24 109.298 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.494 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 3.7 m -67.73 -36.9 81.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 63.24 109.998 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.57 -32.04 69.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 75.31 109.297 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.3 t -69.11 -52.75 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 74.33 109.277 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.583 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.87 -26.45 63.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 71.35 110.349 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.578 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -72.8 -36.12 58.08 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.118 . . . . 53.31 111.023 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.17 -28.1 42.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 71.03 111.025 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.583 HG22 ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -56.82 -41.7 76.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 74.33 109.291 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.578 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.0 p80 -81.87 -14.13 56.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 73.34 109.589 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.448 1.092 . . . . 41.15 110.976 -179.977 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.424 HG11 HG21 ' A' ' 10' ' ' VAL . 1.6 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.328 -0.619 . . . . 74.13 109.328 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -159.55 33.89 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 74.34 110.994 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.86 -38.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 71.42 109.599 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.0 -43.49 71.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 64.13 109.278 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 49.06 -172.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 65.3 110.999 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.2 m 42.48 92.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 75.42 110.012 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.675 ' HB3' ' NH2' ' A' ' 8' ' ' ARG . . . -58.9 -35.05 72.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 63.32 109.335 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.675 ' NH2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -65.12 -14.06 59.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 74.12 110.281 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.27 -32.36 4.33 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 63.51 111.058 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.502 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -67.65 -49.74 67.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 74.22 109.336 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.502 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 7.6 ptm180 -65.81 -40.85 92.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 72.33 110.287 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -59.54 -21.81 60.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 73.43 109.27 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -90.46 -16.94 28.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 73.44 109.292 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.598 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -81.04 -44.63 17.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 74.34 110.959 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.504 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.12 -19.64 14.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 72.2 109.249 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -50.66 20.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 61.43 110.013 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.505 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.95 -13.25 44.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 71.11 109.334 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.512 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.1 t -77.5 -30.93 17.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 74.13 109.324 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.83 -57.57 17.38 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 72.43 111.009 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.617 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.3 Cg_endo -75.0 -25.51 11.79 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 74.42 111.008 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.18 -24.85 11.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 71.53 109.258 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.488 ' O ' ' CB ' ' A' ' 26' ' ' SER . 3.5 t0 -71.06 -34.36 71.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 74.35 109.307 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.82 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.7 OUTLIER -72.2 -51.1 22.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 72.43 108.04 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.82 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.68 -51.54 65.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 74.43 109.324 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.493 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.7 OUTLIER -64.86 -33.23 62.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 73.44 109.332 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.493 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 3.7 m -67.77 -36.91 81.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 61.25 109.984 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.55 -32.04 69.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 54.1 109.314 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.6 t -69.12 -52.68 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 33.15 109.288 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.584 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.96 -26.46 63.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 70.11 110.302 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.579 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -72.72 -36.22 58.29 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 63.32 111.003 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.17 -28.12 42.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 0.797 . . . . 54.41 111.018 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.584 HG22 ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -56.83 -41.67 76.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 71.33 109.319 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.579 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.0 p80 -81.81 -14.15 56.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 63.23 109.617 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 71.4 110.988 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 17.0 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.345 -0.613 . . . . 74.32 109.345 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.464 ' O ' ' CD2' ' A' ' 2' ' ' PHE . 39.6 p90 -162.44 41.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 75.51 111.011 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.9 -38.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 74.3 109.548 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.22 -50.02 69.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 62.2 109.304 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.402 ' O ' ' O ' ' A' ' 6' ' ' SER . 12.8 m-85 53.3 -173.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 65.3 110.998 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 5' ' ' TYR . 57.0 m 43.96 93.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 71.02 110.024 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.631 ' HB3' ' NH2' ' A' ' 8' ' ' ARG . . . -59.01 -35.16 72.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 72.42 109.285 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.631 ' NH2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -64.18 -13.06 46.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 72.51 110.325 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.96 -34.79 3.14 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.448 1.092 . . . . 62.34 111.046 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.51 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -62.75 -50.04 81.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.543 0.79 . . . . 72.24 109.271 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.523 ' NH2' ' HB1' ' A' ' 7' ' ' ALA . 9.5 ptp180 -69.99 -39.82 75.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 52.1 110.272 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -59.3 -22.29 60.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 71.4 109.314 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -89.87 -17.54 27.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 71.44 109.342 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.598 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -80.97 -44.63 17.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.078 . . . . 70.44 110.984 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.507 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.48 -18.96 13.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 44.45 109.313 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.24 -51.23 18.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 72.44 110.03 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.505 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.99 -13.19 44.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 74.31 109.309 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.507 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.0 t -77.54 -30.91 17.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 64.34 109.269 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.86 -57.59 17.34 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.131 . . . . 74.13 111.009 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.619 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.2 Cg_endo -75.01 -25.41 11.88 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.556 1.819 . . . . 65.11 111.022 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.22 -24.87 12.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 71.05 109.347 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.1 t70 -71.07 -34.26 71.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 70.12 109.303 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.821 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.7 OUTLIER -72.28 -51.21 21.88 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.953 -1.128 . . . . 75.21 107.953 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.821 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.59 -51.68 62.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 72.34 109.308 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.494 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.3 OUTLIER -64.88 -33.29 62.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 72.04 109.306 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 6.7 t -67.72 -36.83 81.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 73.15 110.006 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.6 -32.03 69.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 64.41 109.33 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.5 t -69.1 -52.71 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 40.11 109.274 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.581 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.96 -26.41 63.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 72.33 110.297 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.577 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -72.8 -36.24 58.0 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.442 1.089 . . . . 71.03 110.983 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.15 -28.02 42.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.756 . . . . 64.51 111.007 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.581 HG22 ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -56.88 -41.69 76.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 62.52 109.292 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.577 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.0 p80 -81.82 -14.18 56.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 71.22 109.612 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.522 1.139 . . . . 73.43 110.995 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.835 HG23 ' HB3' ' A' ' 4' ' ' ALA . 1.6 t . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.256 -0.646 . . . . 73.53 109.256 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 2' ' ' PHE . 6.5 t80 -86.72 5.19 37.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 74.13 111.002 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.874 ' CE1' HG23 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -176.81 -38.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 75.33 109.6 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.835 ' HB3' HG23 ' A' ' 1' ' ' VAL . . . -46.58 -35.25 5.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 54.25 109.266 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.418 ' HB3' ' N ' ' A' ' 1' ' ' VAL . 0.1 OUTLIER -72.1 -169.14 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 73.14 111.036 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.0 m 39.52 86.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 52.53 109.99 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.736 ' HB3' HH21 ' A' ' 8' ' ' ARG . . . -59.95 -34.35 73.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 61.35 109.297 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.736 HH21 ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -62.35 -13.48 29.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 75.33 110.273 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.48 -37.75 3.2 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.118 . . . . 44.23 111.019 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.874 HG23 ' CE1' ' A' ' 3' ' ' HIS . 0.4 OUTLIER -68.74 -49.86 60.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 0.787 . . . . 55.14 109.309 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.509 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 17.1 ptt180 -59.27 -40.41 85.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 63.51 110.298 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.432 ' N ' ' CG ' ' A' ' 11' ' ' ARG . 1.9 m120 -59.3 -22.07 60.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 71.41 109.266 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -90.24 -17.34 27.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 71.23 109.25 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.603 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -80.99 -44.28 18.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 71.5 111.007 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.484 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.64 -19.05 14.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 74.54 109.264 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -73.55 -50.89 19.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 73.01 109.998 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.507 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.99 -13.16 44.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 24.22 109.322 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.489 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.0 t -77.53 -30.99 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 73.02 109.28 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.85 -57.54 17.55 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 24.05 111.014 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.624 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.3 Cg_endo -74.99 -25.45 11.88 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.442 1.759 . . . . 75.22 111.037 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.28 -24.74 12.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 64.41 109.293 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.2 t70 -71.16 -34.29 70.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 63.44 109.303 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.826 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.7 OUTLIER -72.19 -51.22 22.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 74.25 108.021 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.826 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -56.6 -51.72 62.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 75.12 109.327 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.483 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.5 OUTLIER -64.83 -33.32 62.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 73.5 109.328 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 6.9 t -67.64 -36.88 81.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 72.35 109.983 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.6 -32.1 69.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 60.41 109.27 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.9 t -69.07 -52.7 31.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 64.02 109.309 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.59 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.97 -26.46 63.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 73.41 110.299 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.577 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -72.74 -36.17 58.25 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 30.34 111.032 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.17 -28.15 42.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 63.44 111.006 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.59 HG22 ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -56.8 -41.74 76.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 61.34 109.303 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.577 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.0 p80 -81.76 -14.18 56.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 71.53 109.617 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.529 1.143 . . . . 23.42 110.973 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.742 HG23 ' N ' ' A' ' 2' ' ' PHE . 3.1 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.285 -0.635 . . . . 65.22 109.285 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.742 ' N ' HG23 ' A' ' 1' ' ' VAL . 1.0 OUTLIER 75.3 31.35 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 64.03 111.035 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.77 -38.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 74.33 109.58 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.88 -28.78 61.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 54.13 109.298 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -69.38 179.42 2.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 71.05 111.016 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 m 45.62 94.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.551 1.157 . . . . 65.14 109.992 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.657 ' HB3' ' NH2' ' A' ' 8' ' ' ARG . . . -59.15 -34.47 72.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 73.34 109.279 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.657 ' NH2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -66.44 -14.33 62.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 74.15 110.305 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.78 -30.32 4.32 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.503 1.127 . . . . 62.23 110.953 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.506 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -66.88 -49.83 70.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 75.41 109.301 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.506 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 5.2 ptt85 -66.97 -40.9 87.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 74.53 110.311 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -59.44 -21.81 60.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 75.3 109.288 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -90.5 -17.05 27.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 73.44 109.27 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.607 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -81.02 -44.66 17.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 72.33 110.998 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.508 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -55.99 -19.71 13.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 73.1 109.327 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 p -73.6 -50.7 19.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 72.53 109.968 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.504 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.93 -13.27 44.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 74.24 109.323 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.514 HG21 ' HE1' ' A' ' 14' ' ' TYR . 3.1 t -77.48 -30.85 17.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 71.21 109.312 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.94 -57.63 17.32 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.471 1.107 . . . . 65.11 110.988 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.614 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.3 Cg_endo -74.98 -25.4 11.94 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 61.33 111.0 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.33 -24.79 12.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 72.34 109.279 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -71.19 -34.2 70.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 75.52 109.288 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.829 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.6 OUTLIER -72.26 -51.18 22.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 73.51 108.033 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.829 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.66 -51.62 64.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 52.35 109.314 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.493 ' N ' HG12 ' A' ' 24' ' ' VAL . 2.7 tp -64.91 -33.26 62.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 74.14 109.331 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 6.9 t -67.69 -36.9 81.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 63.53 109.995 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.53 -32.11 69.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 71.02 109.32 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.5 t -69.08 -52.71 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 73.33 109.273 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.589 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.98 -26.46 63.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 74.35 110.27 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.576 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -72.71 -36.22 58.34 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.449 1.093 . . . . 75.22 110.995 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.14 -28.14 42.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 0.792 . . . . 71.23 110.98 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.589 HG22 ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -56.82 -41.73 76.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 71.4 109.274 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.576 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.1 p80 -81.82 -14.16 56.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 72.44 109.605 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 75.42 111.022 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.764 HG23 ' N ' ' A' ' 2' ' ' PHE . 3.1 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.313 -0.625 . . . . 73.44 109.313 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.764 ' N ' HG23 ' A' ' 1' ' ' VAL . 1.2 t80 75.34 31.26 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 74.21 111.015 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.7 -38.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 72.02 109.58 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.5 -46.45 48.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 53.24 109.265 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.437 ' CZ ' ' HB2' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -65.74 167.78 8.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 71.31 111.003 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.2 m -107.89 94.56 5.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 64.35 109.992 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.623 ' HB3' ' NH2' ' A' ' 8' ' ' ARG . . . -58.34 -34.52 70.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 73.11 109.273 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.623 ' NH2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -62.79 -17.65 61.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 74.54 110.285 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.4 ' O ' ' CG ' ' A' ' 13' ' ' ASN . . . -99.02 -35.32 4.85 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.527 1.142 . . . . 34.23 111.0 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.512 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -68.71 -49.73 61.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 0.751 . . . . 74.11 109.329 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.512 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 1.5 ptm180 -59.15 -40.43 85.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 75.34 110.307 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.443 ' N ' ' CG ' ' A' ' 11' ' ' ARG . 1.3 m-80 -59.51 -21.91 60.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 74.24 109.284 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 9' ' ' GLY . 3.2 m120 -90.29 -17.1 28.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 72.4 109.306 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.61 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -80.99 -44.41 18.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 64.51 111.021 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.506 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.65 -19.01 14.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.504 1.127 . . . . 72.42 109.343 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.8 t -73.55 -50.94 18.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 71.33 109.984 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.509 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -64.02 -13.17 44.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 74.44 109.313 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.5 HG21 ' HE1' ' A' ' 14' ' ' TYR . 3.0 t -77.54 -30.9 17.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 65.01 109.29 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.8 -57.63 17.11 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.115 . . . . 31.15 110.992 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.623 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.2 Cg_endo -75.0 -25.43 11.86 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.488 1.783 . . . . 71.34 110.98 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.31 -24.79 12.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 71.13 109.269 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -71.18 -34.2 70.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 71.13 109.285 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.83 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.6 OUTLIER -72.27 -51.15 22.17 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.03 -1.1 . . . . 75.5 108.03 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.83 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.64 -51.68 63.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 72.13 109.291 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.494 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -64.84 -33.39 63.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 65.51 109.279 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 6.9 t -67.61 -36.91 81.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 74.13 109.99 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.56 -32.09 69.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 73.31 109.338 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.9 t -69.01 -52.74 31.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 72.31 109.32 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.583 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.91 -26.51 63.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 74.53 110.267 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.574 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -72.73 -36.22 58.27 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.466 1.104 . . . . 64.2 110.981 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.14 -28.15 42.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 0.74 . . . . 54.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.583 HG22 ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -56.8 -41.69 76.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 73.2 109.295 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.574 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.0 p80 -81.86 -14.13 56.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 71.12 109.601 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 55.24 110.972 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.61 HG12 ' H ' ' A' ' 2' ' ' PHE . 2.7 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.352 -0.61 . . . . 74.42 109.352 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.61 ' H ' HG12 ' A' ' 1' ' ' VAL . 0.1 OUTLIER -87.15 40.09 0.9 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 62.01 111.033 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -177.0 -38.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 73.54 109.562 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.71 -36.56 43.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.138 . . . . 64.33 109.274 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 44.39 -169.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 73.45 111.016 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.9 m 39.46 87.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 72.5 109.955 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.718 ' HB3' HH21 ' A' ' 8' ' ' ARG . . . -61.23 -34.52 75.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 52.15 109.322 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.718 HH21 ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -62.37 -13.68 31.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 72.04 110.267 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.403 ' O ' ' CG ' ' A' ' 13' ' ' ASN . . . -101.83 -37.97 3.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.096 . . . . 60.21 111.03 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.51 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -68.75 -49.99 59.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 71.33 109.297 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.51 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 2.2 ptm180 -59.33 -40.3 85.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 72.13 110.27 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.444 ' N ' ' CG ' ' A' ' 11' ' ' ARG . 1.8 m120 -59.21 -22.17 60.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 62.52 109.265 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 9' ' ' GLY . 3.3 m120 -90.17 -17.62 27.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 73.14 109.264 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.614 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -80.99 -44.15 18.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 74.32 111.046 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.504 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.87 -18.55 13.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 72.03 109.295 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.45 -51.64 16.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 71.31 109.996 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.513 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.96 -13.11 43.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.436 1.085 . . . . 73.45 109.297 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.537 HG21 ' HE1' ' A' ' 14' ' ' TYR . 3.1 t -77.72 -30.15 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 63.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.65 -57.47 18.6 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 32.4 110.977 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.625 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.5 Cg_endo -74.97 -25.27 12.07 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 64.21 111.04 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -54.59 -23.8 18.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 61.13 109.293 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -73.87 -31.91 63.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 72.34 109.273 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.849 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -72.18 -52.23 17.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 73.42 107.991 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.849 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.63 -51.48 65.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 75.23 109.288 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.486 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -64.34 -32.98 59.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 74.22 109.274 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 6.8 t -68.26 -37.44 80.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 61.21 110.013 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.56 -32.1 69.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 73.24 109.33 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.6 t -69.04 -52.76 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 64.42 109.265 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.589 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.85 -26.44 63.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 73.21 110.347 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.574 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -72.8 -36.19 58.03 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.556 1.16 . . . . 64.41 110.996 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.2 -27.94 42.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 61.33 110.982 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.589 HG22 ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -56.95 -41.68 77.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 71.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.574 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.1 p80 -81.84 -14.1 56.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 55.42 109.641 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 64.21 111.031 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 23.0 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.324 -0.621 . . . . 71.14 109.324 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.476 ' O ' ' CD2' ' A' ' 2' ' ' PHE . 25.5 p90 -172.33 44.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 72.02 111.002 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.91 -38.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 72.31 109.592 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.58 -49.81 69.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 55.32 109.292 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 44.93 -170.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 65.25 110.993 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.6 m 44.42 93.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 70.44 110.03 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.716 ' HB3' ' NH2' ' A' ' 8' ' ' ARG . . . -59.23 -34.45 72.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 70.31 109.327 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.716 ' NH2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -65.76 -12.97 58.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 74.51 110.339 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.13 -30.18 4.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 63.4 110.962 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.506 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -68.79 -49.62 62.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 71.41 109.286 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.506 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 10.3 ptm180 -64.55 -41.12 96.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 1.164 . . . . 72.34 110.265 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.513 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 3.5 m120 -61.64 -20.07 62.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 74.11 109.325 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -91.79 -12.48 33.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 64.23 109.322 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.605 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -81.37 -48.29 12.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 73.21 111.008 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.544 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -66.0 -16.14 63.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 52.22 109.33 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.401 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -69.54 -58.3 4.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 74.14 109.981 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.5 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -64.0 -13.14 44.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 64.2 109.292 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.0 t -77.57 -31.01 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 70.32 109.309 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.7 -57.59 17.08 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.521 1.138 . . . . 63.21 111.011 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.62 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.4 Cg_endo -74.98 -25.48 11.86 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 74.15 111.02 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.28 -24.76 12.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 70.31 109.317 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.7 OUTLIER -71.08 -34.34 71.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 74.25 109.342 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.82 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.7 OUTLIER -72.25 -51.07 22.62 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.011 -1.107 . . . . 64.53 108.011 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.82 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.65 -51.56 64.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 72.25 109.287 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.494 ' N ' HG12 ' A' ' 24' ' ' VAL . 1.8 tp -64.87 -33.3 62.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 61.52 109.32 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.496 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 3.7 m -67.7 -36.91 81.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 62.12 110.005 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.58 -32.02 69.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 62.52 109.277 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.5 t -69.12 -52.72 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 64.44 109.28 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.583 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.9 -26.46 63.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 73.31 110.299 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.579 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -72.8 -36.11 58.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.472 1.108 . . . . 75.23 111.016 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.19 -28.15 42.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 74.41 111.007 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.583 HG22 ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -56.75 -41.7 75.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 75.14 109.335 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.579 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.1 p80 -81.87 -14.17 56.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 61.23 109.548 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.11 . . . . 63.11 110.992 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.731 HG21 ' HB3' ' A' ' 4' ' ' ALA . 3.0 t . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.302 -0.629 . . . . 73.54 109.302 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.634 ' H ' HG12 ' A' ' 1' ' ' VAL . 0.3 OUTLIER -81.46 4.33 21.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 63.01 111.014 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -176.93 -38.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 75.33 109.616 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.731 ' HB3' HG21 ' A' ' 1' ' ' VAL . . . -57.05 -21.87 34.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 45.34 109.319 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -61.05 158.6 13.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 73.32 110.962 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.1 m -133.25 91.89 2.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 62.3 110.021 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.767 ' HB3' HH21 ' A' ' 8' ' ' ARG . . . -59.59 -34.47 72.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 74.14 109.325 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.767 HH21 ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -65.22 -13.83 59.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 65.21 110.279 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.41 -29.77 4.65 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.533 1.145 . . . . 65.14 110.996 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.495 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -68.83 -49.63 62.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 63.35 109.306 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.495 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 0.7 OUTLIER -66.86 -41.3 87.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 61.23 110.292 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.514 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 3.0 m120 -61.67 -20.05 63.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 64.3 109.334 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -91.58 -12.72 33.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 62.33 109.315 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.607 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -81.31 -48.25 12.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 74.34 111.011 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.538 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -66.07 -16.23 63.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 64.45 109.291 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.42 -42.68 61.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 75.41 109.993 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.505 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -77.81 -13.93 59.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 64.23 109.292 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.463 HG21 ' HE1' ' A' ' 14' ' ' TYR . 3.1 t -77.5 -30.97 17.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 72.14 109.282 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.86 -57.57 17.46 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.516 1.135 . . . . 63.0 110.951 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.616 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.4 Cg_endo -75.01 -25.4 11.88 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.514 1.797 . . . . 64.04 111.026 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.31 -24.84 12.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 62.23 109.301 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.2 t70 -71.1 -34.17 70.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 63.43 109.342 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.808 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.7 OUTLIER -72.24 -51.29 21.68 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.968 -1.123 . . . . 63.52 107.968 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.808 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.58 -51.67 62.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 74.21 109.313 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.493 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -64.87 -33.28 62.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.095 . . . . 62.24 109.333 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 6.8 t -67.73 -36.88 81.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 52.3 109.97 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.57 -32.11 69.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 72.23 109.276 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 24' ' ' VAL . 99.6 t -69.02 -52.75 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 61.14 109.306 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.589 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.92 -26.44 63.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 74.02 110.325 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.576 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -72.76 -36.24 58.14 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 74.41 110.958 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.1 -28.16 42.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 70.33 111.013 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.589 HG22 ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -56.87 -41.69 76.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 64.34 109.294 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.576 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.0 p80 -81.78 -14.14 56.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 74.5 109.599 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.515 1.135 . . . . 73.22 110.987 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.577 HG11 HG21 ' A' ' 10' ' ' VAL . 31.0 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.309 -0.626 . . . . 60.32 109.309 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.439 ' CD2' ' O ' ' A' ' 1' ' ' VAL . 29.3 m-85 -164.39 47.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 72.33 111.029 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -176.92 -38.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 63.44 109.599 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.17 -39.25 78.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 51.12 109.279 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 52.66 -172.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 73.23 111.039 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 m 45.14 94.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 53.22 110.013 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.7 ' HB3' ' NH2' ' A' ' 8' ' ' ARG . . . -59.07 -34.48 72.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 73.12 109.354 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.7 ' NH2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -66.56 -14.2 62.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 64.13 110.275 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.71 -31.08 4.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.519 1.137 . . . . 71.25 111.016 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.577 HG21 HG11 ' A' ' 1' ' ' VAL . 0.5 OUTLIER -67.19 -49.8 69.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.524 0.779 . . . . 42.14 109.286 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.501 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 1.6 ptm180 -66.52 -40.91 89.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 72.02 110.317 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.473 ' O ' ' CE ' ' A' ' 15' ' ' LYS . 2.4 m120 -59.6 -21.67 60.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 63.51 109.32 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -90.63 -16.47 28.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 64.44 109.293 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.6 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -80.98 -44.22 18.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 71.11 110.977 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.492 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.81 -19.02 14.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 74.2 109.317 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.58 -50.8 19.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 72.3 109.982 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.503 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -64.01 -13.23 45.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 73.13 109.277 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.496 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.1 t -77.56 -30.37 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 64.11 109.305 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.51 -57.66 17.6 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.474 1.109 . . . . 64.24 111.009 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.625 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.3 Cg_endo -75.0 -24.82 12.45 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.566 1.824 . . . . 51.04 111.005 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.491 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.96 -25.0 18.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 53.43 109.308 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.97 -32.49 67.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 75.53 109.292 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.862 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -72.48 -51.98 17.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 73.53 107.989 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.984 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -56.62 -52.93 47.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 74.14 109.282 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.524 ' N ' HG12 ' A' ' 24' ' ' VAL . 3.2 tp -60.27 -34.59 57.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 74.3 109.337 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.422 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 6.9 t -66.01 -44.14 85.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 64.55 110.026 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.69 -30.07 66.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 65.44 109.329 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.984 HG23 ' O ' ' A' ' 24' ' ' VAL . 90.6 t -62.6 -51.52 71.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 71.34 109.348 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.581 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.66 -26.83 63.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 73.13 110.296 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.561 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -75.15 -34.7 51.17 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.473 1.108 . . . . 74.21 111.032 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.81 -26.98 44.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 72.2 111.04 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.581 HG22 ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -57.19 -41.62 78.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 64.14 109.345 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.561 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 32.0 p80 -82.97 -13.67 55.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 71.32 109.601 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 15.42 111.003 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.464 HG12 ' H ' ' A' ' 2' ' ' PHE . 2.2 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.309 -0.626 . . . . 74.43 109.309 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.464 ' H ' HG12 ' A' ' 1' ' ' VAL . 44.8 m-85 -153.23 52.14 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 73.43 110.966 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -176.9 -38.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 74.24 109.551 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.58 -23.42 65.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 65.21 109.294 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -67.65 170.97 6.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 74.25 110.976 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.4 m -89.95 94.51 9.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 75.11 109.978 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.685 ' HB3' ' NH2' ' A' ' 8' ' ' ARG . . . -59.25 -34.5 72.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 71.13 109.29 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.685 ' NH2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -65.08 -13.8 58.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 73.44 110.338 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.54 -33.31 3.91 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 64.5 111.03 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.503 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -66.51 -49.79 72.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 64.53 109.278 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.503 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 8.7 ptm180 -65.2 -40.87 94.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 71.04 110.305 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -59.6 -21.7 60.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 75.12 109.273 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -90.54 -16.33 29.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 73.44 109.355 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.601 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -80.94 -44.04 18.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 64.33 111.017 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.491 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.22 -18.82 17.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 75.52 109.32 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.57 -50.79 19.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 73.23 110.009 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.509 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.94 -13.28 44.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 55.24 109.339 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.467 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.1 t -77.53 -30.27 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 53.33 109.282 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.6 -57.67 17.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.458 1.099 . . . . 63.21 110.989 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.63 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.4 Cg_endo -75.0 -24.78 12.5 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.45 1.763 . . . . 71.12 111.016 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -54.03 -25.03 19.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.077 . . . . 53.35 109.285 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -71.91 -32.52 67.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 64.44 109.296 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.864 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -72.48 -51.96 17.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 73.01 108.018 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.988 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -56.6 -52.91 47.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 74.2 109.304 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.506 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -60.32 -34.6 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 73.33 109.29 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.438 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 6.8 t -66.0 -44.11 85.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 31.25 110.036 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.75 -30.03 66.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 51.22 109.309 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.988 HG23 ' O ' ' A' ' 24' ' ' VAL . 89.3 t -62.57 -51.56 70.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 63.31 109.318 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.588 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.68 -26.8 63.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 72.11 110.306 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.554 ' O ' ' CD2' ' A' ' 33' ' ' HIS . . . -75.22 -34.59 51.08 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 73.43 110.964 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.86 -26.92 44.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 64.24 110.98 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.588 HG22 ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -57.18 -41.64 78.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 75.11 109.299 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.554 ' CD2' ' O ' ' A' ' 30' ' ' GLY . 31.9 p80 -83.0 -13.75 55.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 74.13 109.565 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.458 1.099 . . . . 63.22 111.033 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.6 HG23 ' CE1' ' A' ' 5' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.334 -0.617 . . . . 71.33 109.334 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.544 ' CG ' ' O ' ' A' ' 1' ' ' VAL . 95.7 m-85 -164.23 51.33 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 72.5 110.981 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.454 ' HA ' HG23 ' A' ' 10' ' ' VAL . 2.3 t-80 -176.95 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 64.42 109.57 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.82 -15.84 45.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 44.32 109.297 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.6 ' CE1' HG23 ' A' ' 1' ' ' VAL . 0.2 OUTLIER -170.41 -149.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 63.12 111.019 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.581 ' N ' ' CG ' ' A' ' 5' ' ' TYR . 75.0 m 39.68 90.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 73.31 110.004 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.745 ' HB3' ' NH2' ' A' ' 8' ' ' ARG . . . -58.89 -34.64 71.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.162 . . . . 63.25 109.324 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.745 ' NH2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -63.24 -14.17 46.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 73.5 110.266 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.58 -36.17 3.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.438 1.086 . . . . 65.24 110.988 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.499 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -68.88 -49.64 61.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 74.25 109.244 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.499 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 7.6 ptm180 -59.25 -40.45 85.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 73.34 110.301 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -59.45 -21.96 60.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.1 . . . . 64.35 109.251 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -90.29 -17.14 27.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 74.11 109.27 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.616 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -81.06 -44.32 18.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 75.42 111.034 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.505 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.99 -19.01 15.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 73.42 109.32 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -73.48 -51.05 18.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 62.21 110.009 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.496 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.97 -13.24 44.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 73.52 109.329 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.489 HG21 ' HE1' ' A' ' 14' ' ' TYR . 3.1 t -77.51 -30.31 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 75.34 109.312 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.64 -57.64 17.81 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.525 1.141 . . . . 52.02 110.975 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.632 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.2 Cg_endo -75.03 -24.83 12.39 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.522 1.801 . . . . 54.54 110.984 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.491 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.93 -25.1 18.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 64.02 109.343 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -71.9 -32.53 67.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 72.24 109.278 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.863 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -72.44 -52.0 17.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 72.41 107.986 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 1.004 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -56.59 -52.98 46.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 73.05 109.29 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.522 ' N ' HG12 ' A' ' 24' ' ' VAL . 1.0 OUTLIER -60.27 -34.56 57.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 61.42 109.302 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.42 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 7.6 t -66.11 -43.98 85.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 74.14 109.976 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.8 -30.02 66.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 55.45 109.295 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 1.004 HG23 ' O ' ' A' ' 24' ' ' VAL . 92.2 t -62.68 -51.5 71.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 51.32 109.271 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.578 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.66 -26.77 63.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 63.22 110.275 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.565 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -75.28 -34.66 50.59 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.515 1.134 . . . . 65.21 110.986 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.89 -26.96 43.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 0.783 . . . . 74.32 110.981 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.578 HG22 ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -57.26 -41.66 78.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 74.41 109.296 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.565 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 32.0 p80 -82.8 -13.78 55.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 75.31 109.627 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.516 1.135 . . . . 51.11 110.992 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.302 -0.629 . . . . 70.13 109.302 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -157.08 38.97 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 64.52 110.972 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -176.94 -38.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 74.12 109.565 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.76 -28.85 66.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 71.12 109.286 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.87 170.42 1.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 64.13 110.986 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.2 m 39.41 87.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 52.21 109.984 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.737 ' HB3' HH21 ' A' ' 8' ' ' ARG . . . -60.97 -34.68 75.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 70.22 109.253 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.737 HH21 ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -62.31 -13.54 29.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 70.45 110.295 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.93 -37.96 3.27 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.501 1.126 . . . . 64.24 110.988 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.512 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -68.78 -50.02 58.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 0.792 . . . . 73.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.512 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 6.6 ptm180 -58.95 -40.49 84.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 74.32 110.304 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.428 ' N ' ' CG ' ' A' ' 11' ' ' ARG . 1.9 m120 -59.35 -22.0 60.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 73.45 109.283 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -90.27 -17.29 27.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 71.33 109.285 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.6 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -81.05 -44.06 18.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 72.04 110.967 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.478 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.74 -18.94 14.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 71.33 109.299 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.49 -51.09 18.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 54.54 110.038 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.508 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.98 -13.23 44.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 70.04 109.287 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.504 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.1 t -77.51 -30.37 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 73.45 109.291 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.55 -57.68 17.56 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 43.43 110.979 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.625 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.2 Cg_endo -74.96 -24.79 12.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.452 1.764 . . . . 72.51 111.02 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -54.09 -24.98 19.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 73.35 109.258 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -72.01 -32.46 67.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.095 . . . . 53.34 109.278 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.859 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -72.45 -52.0 17.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 73.03 107.996 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.981 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -56.52 -53.05 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 74.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.508 ' N ' HG12 ' A' ' 24' ' ' VAL . 1.2 tp -60.22 -34.54 57.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 65.22 109.312 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.436 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 7.2 t -66.15 -44.09 85.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 64.15 109.977 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.71 -30.08 66.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 72.21 109.305 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.981 HG23 ' O ' ' A' ' 24' ' ' VAL . 88.3 t -62.56 -51.59 70.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 70.11 109.299 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.588 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.68 -26.75 63.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 74.34 110.318 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.563 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -75.24 -34.53 51.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.519 1.137 . . . . 42.04 111.024 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.82 -26.94 44.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.781 . . . . 73.34 111.058 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.588 HG22 ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -57.21 -41.63 78.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 51.4 109.304 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.563 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.8 p80 -82.95 -13.73 55.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 74.34 109.632 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.497 1.123 . . . . 44.33 110.985 -179.942 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.744 ' CG2' ' HB3' ' A' ' 4' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.32 -0.622 . . . . 74.35 109.32 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -86.68 42.5 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 75.42 111.024 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -174.12 -44.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 72.21 109.577 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.744 ' HB3' ' CG2' ' A' ' 1' ' ' VAL . . . -78.82 -34.79 44.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 71.44 109.32 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 47.52 -175.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 72.04 110.989 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 m 41.84 91.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 73.12 109.991 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.662 ' HB3' ' NH2' ' A' ' 8' ' ' ARG . . . -58.82 -35.59 73.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 65.31 109.288 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.662 ' NH2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -64.19 -14.35 54.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 73.34 110.278 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.37 -33.83 4.09 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.494 1.121 . . . . 61.51 110.988 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.502 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -66.81 -49.77 71.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 0.782 . . . . 71.35 109.265 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.502 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 6.4 ptm180 -65.1 -40.85 95.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 75.24 110.299 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -59.68 -21.64 60.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 74.34 109.251 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -90.65 -16.35 28.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 70.44 109.298 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.602 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -80.96 -44.1 18.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 74.42 110.984 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.485 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.12 -18.85 16.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 73.22 109.277 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.48 -51.07 18.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 51.21 109.976 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.503 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -64.01 -13.24 45.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.158 . . . . 73.2 109.301 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.499 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.1 t -77.51 -30.3 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 73.13 109.31 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.59 -57.7 17.48 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 43.35 110.953 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.621 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.3 Cg_endo -74.96 -24.82 12.55 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.477 1.778 . . . . 73.33 111.011 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -54.0 -24.97 18.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 24.43 109.307 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.99 -32.53 67.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 74.5 109.293 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.866 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -72.39 -51.99 17.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 73.41 108.048 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.99 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -56.59 -52.98 46.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 74.3 109.254 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.522 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -60.31 -34.52 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 61.3 109.307 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.424 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 6.2 t -66.14 -44.06 85.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 72.42 110.006 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.72 -30.09 66.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 71.44 109.279 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.99 HG23 ' O ' ' A' ' 24' ' ' VAL . 91.2 t -62.58 -51.55 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 73.43 109.339 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.58 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.58 -26.89 63.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 72.2 110.272 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.56 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -75.21 -34.66 50.95 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.467 1.104 . . . . 72.44 110.983 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.82 -26.94 44.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 64.41 111.015 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.58 HG22 ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -57.23 -41.67 78.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 75.21 109.287 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.56 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 32.0 p80 -82.89 -13.72 55.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 72.42 109.598 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.448 1.092 . . . . 72.44 111.018 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.752 HG23 ' N ' ' A' ' 2' ' ' PHE . 3.0 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.334 -0.617 . . . . 65.44 109.334 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.752 ' N ' HG23 ' A' ' 1' ' ' VAL . 2.0 t80 72.72 19.4 3.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 64.42 110.977 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -146.53 -46.82 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 74.3 109.591 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.74 -19.7 65.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 53.2 109.313 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' A' ' 5' ' ' TYR . 0.1 OUTLIER -74.8 -175.85 2.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 73.23 111.032 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.4 m -145.05 94.79 2.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 74.44 109.978 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.629 ' HB3' ' NH2' ' A' ' 8' ' ' ARG . . . -60.55 -34.43 74.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 64.35 109.309 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.629 ' NH2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -65.18 -13.65 58.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 71.14 110.318 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.65 -33.38 4.16 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.462 1.101 . . . . 74.41 110.978 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.51 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -67.08 -49.78 70.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 62.15 109.343 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.51 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 7.1 ptm180 -65.1 -40.89 95.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 72.33 110.29 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -59.59 -21.7 60.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 64.43 109.319 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -90.58 -16.42 28.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 73.25 109.316 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.61 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -81.0 -44.25 18.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 73.42 110.993 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.492 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.18 -18.8 17.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 71.21 109.316 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.51 -50.9 19.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 70.1 109.973 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.495 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -64.0 -13.24 45.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 52.23 109.266 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.472 HG21 ' HE1' ' A' ' 14' ' ' TYR . 3.1 t -77.54 -30.31 16.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 45.54 109.3 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.59 -57.62 17.88 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.527 1.142 . . . . 45.43 111.002 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.624 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.2 Cg_endo -75.03 -24.84 12.39 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.46 1.768 . . . . 53.41 110.957 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.98 -25.05 18.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 72.13 109.323 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.91 -32.53 67.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 52.22 109.321 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.856 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -72.44 -52.01 17.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 62.53 107.987 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 1.009 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -56.55 -52.94 47.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 71.21 109.343 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.509 ' N ' HG12 ' A' ' 24' ' ' VAL . 1.2 tp -60.34 -34.55 58.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 61.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.439 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 6.6 t -66.13 -43.97 85.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 74.02 110.001 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.79 -30.04 66.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 72.01 109.288 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 1.009 HG23 ' O ' ' A' ' 24' ' ' VAL . 92.4 t -62.67 -51.51 71.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 73.03 109.278 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.585 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.64 -26.8 63.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 65.14 110.308 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.553 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -75.23 -34.75 50.63 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.507 1.129 . . . . 45.21 110.954 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.87 -26.97 44.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 0.794 . . . . 74.24 110.994 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.585 HG22 ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -57.21 -41.65 78.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 74.33 109.285 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.553 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 32.1 p80 -82.85 -13.81 55.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 72.24 109.591 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.464 1.102 . . . . 72.12 111.037 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.496 HG23 ' CE1' ' A' ' 5' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.295 -0.632 . . . . 61.32 109.295 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 175.14 38.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 75.35 110.986 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -176.93 -38.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 72.24 109.642 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.6 -17.27 54.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 70.05 109.272 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.496 ' CE1' HG23 ' A' ' 1' ' ' VAL . 4.6 p90 -150.58 157.95 43.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 72.22 111.001 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.8 m -130.13 95.26 3.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 72.23 109.976 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.721 ' HB3' ' NH2' ' A' ' 8' ' ' ARG . . . -59.31 -34.36 72.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 70.23 109.316 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.721 ' NH2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -65.84 -12.82 57.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 53.1 110.289 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.43 -28.61 4.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.511 1.132 . . . . 61.21 110.987 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.506 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -68.77 -49.69 61.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 0.736 . . . . 75.55 109.318 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.506 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 0.7 OUTLIER -66.28 -41.17 90.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 73.24 110.317 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.519 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 3.7 m120 -61.69 -20.03 63.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 74.51 109.295 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -91.91 -12.44 33.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 65.13 109.313 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.597 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -81.32 -48.34 12.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 63.35 110.971 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.541 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -66.01 -16.09 63.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 62.31 109.331 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.414 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 20.0 t -72.17 -58.38 3.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 73.24 110.017 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.509 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.96 -13.19 44.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 44.44 109.308 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.42 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.0 t -77.54 -31.01 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 75.14 109.286 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.83 -57.52 17.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.466 1.104 . . . . 71.12 111.011 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.618 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.3 Cg_endo -75.04 -25.45 11.78 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.513 1.796 . . . . 60.25 110.98 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.26 -24.78 12.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 70.32 109.306 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.4 OUTLIER -71.19 -34.25 70.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 74.21 109.297 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.829 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.6 OUTLIER -72.29 -51.13 22.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 73.12 107.978 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.829 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.66 -51.66 63.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 55.44 109.335 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.493 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -64.85 -33.31 62.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 71.13 109.299 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 6.6 t -67.74 -36.78 81.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 62.5 109.976 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.61 -32.12 69.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 44.45 109.292 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.4 t -69.05 -52.75 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 61.14 109.283 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.578 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.88 -26.49 63.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 74.3 110.33 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.573 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -72.77 -36.14 58.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.547 1.154 . . . . 72.43 110.999 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.19 -28.06 42.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 0.746 . . . . 71.14 110.985 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.578 HG22 ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -56.87 -41.72 76.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 75.54 109.282 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.573 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.0 p80 -81.83 -14.15 56.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 72.12 109.62 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.53 1.144 . . . . 55.5 111.008 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 20.8 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.287 -0.634 . . . . 63.44 109.287 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.488 ' O ' ' CD2' ' A' ' 2' ' ' PHE . 8.2 p90 -167.95 39.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 73.41 111.016 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -176.87 -38.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 63.44 109.58 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.49 -50.98 14.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 54.32 109.324 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 49.25 -170.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 73.13 111.001 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 m 43.04 92.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 53.41 110.059 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.697 ' HB3' ' NH2' ' A' ' 8' ' ' ARG . . . -60.02 -34.46 73.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 71.41 109.291 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.697 ' NH2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -65.76 -13.81 60.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 53.44 110.288 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.89 -31.44 4.17 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 31.31 110.988 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.504 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -67.06 -49.84 69.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 75.42 109.303 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.504 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 1.3 ptt180 -66.98 -41.01 87.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 74.51 110.29 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -59.49 -21.77 60.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 54.4 109.314 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -90.56 -16.43 28.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 74.43 109.306 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.598 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -80.94 -44.08 18.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 75.14 110.994 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.491 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.09 -18.86 16.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 75.24 109.328 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.48 -51.09 18.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 75.2 110.051 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.51 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.98 -13.16 44.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.103 . . . . 45.42 109.312 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.509 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.2 t -77.61 -29.93 16.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 71.24 109.34 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.95 -57.47 18.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.568 1.168 . . . . 63.43 111.021 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.627 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.4 Cg_endo -74.92 -25.06 12.4 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.465 1.771 . . . . 60.52 111.049 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.484 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -54.97 -23.87 21.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 54.21 109.288 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.2 -30.97 62.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 55.55 109.289 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.862 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.4 OUTLIER -72.44 -52.5 15.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 74.54 107.977 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.997 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -56.54 -52.8 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 75.5 109.283 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.51 ' N ' HG12 ' A' ' 24' ' ' VAL . 1.5 tt -60.07 -34.43 56.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 73.21 109.297 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.43 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 6.4 t -66.47 -44.18 83.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 74.51 110.022 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.7 -30.04 66.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 54.24 109.291 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.997 HG23 ' O ' ' A' ' 24' ' ' VAL . 90.0 t -62.51 -51.64 69.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 63.35 109.313 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.587 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.69 -26.78 63.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 74.21 110.305 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.564 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -75.21 -34.56 51.2 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.458 1.099 . . . . 63.04 111.012 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.87 -26.93 43.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.771 . . . . 74.23 111.013 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.587 HG22 ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -57.17 -41.65 78.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.177 . . . . 62.25 109.313 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.564 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.9 p80 -82.98 -13.68 55.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 75.41 109.627 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 75.11 111.016 179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.607 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.515 0.198 . . . . 64.329999999999998 111.025 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.495 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.08 -18.82 16.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 71.420000000000002 109.299 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.52 -50.97 18.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 73.450000000000003 110.007 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.504 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.9 -13.29 44.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 75.239999999999995 109.273 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.491 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.0 t -77.47 -30.95 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 63.039999999999999 109.351 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.82 -57.64 17.06 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 50.539999999999999 111.0 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.622 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.4 Cg_endo -74.97 -25.42 11.95 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.515 1.797 . . . . 74.439999999999998 110.996 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.24 -24.85 12.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 74.239999999999995 109.331 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.7 OUTLIER -71.1 -34.22 70.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 74.430000000000007 109.321 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.823 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.7 OUTLIER -72.23 -51.21 22.03 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.975 -1.12 . . . . 70.140000000000001 107.975 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.823 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -56.65 -51.66 63.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 71.049999999999997 109.326 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.493 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -64.8 -33.38 63.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 72.019999999999996 109.331 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 6.7 t -67.61 -36.94 81.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 70.329999999999998 109.976 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.59 -32.05 69.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 73.310000000000002 109.292 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.9 t . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 72.25 109.338 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.616 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.495 0.188 . . . . 73.099999999999994 110.998 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.49 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.11 -18.83 16.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 72.340000000000003 109.292 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.48 -51.02 18.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 64.040000000000006 110.034 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.495 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.98 -13.15 44.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 65.209999999999994 109.261 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.498 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.0 t -77.62 -30.88 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 60.039999999999999 109.279 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.87 -57.56 17.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.453 1.095 . . . . 61.130000000000003 110.983 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.622 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.4 Cg_endo -75.0 -25.44 11.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 75.340000000000003 111.022 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.28 -24.84 12.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 72.099999999999994 109.262 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.8 t0 -71.11 -34.24 70.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 71.040000000000006 109.291 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.825 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.6 OUTLIER -72.25 -51.2 22.04 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.984 -1.117 . . . . 75.450000000000003 107.984 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.825 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.63 -51.69 62.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.08 . . . . 72.200000000000003 109.281 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.492 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.3 OUTLIER -64.86 -33.28 62.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 53.210000000000001 109.289 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 6.6 t -67.65 -36.92 81.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 65.329999999999998 109.99 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.59 -32.06 69.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 62.310000000000002 109.261 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.8 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 51.030000000000001 109.313 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.599 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.537 0.208 . . . . 73.329999999999998 111.022 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.486 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.1 -18.85 16.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 64.200000000000003 109.273 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -73.54 -51.13 18.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 74.040000000000006 109.959 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.501 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.92 -13.23 43.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 61.100000000000001 109.313 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.494 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.0 t -77.53 -30.96 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 71.129999999999995 109.307 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.81 -57.55 17.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.536 1.147 . . . . 73.540000000000006 111.016 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.618 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.2 Cg_endo -74.99 -25.42 11.9 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.53 1.805 . . . . 65.329999999999998 111.008 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.32 -24.77 12.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 64.140000000000001 109.297 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.5 OUTLIER -71.14 -34.21 70.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 63.140000000000001 109.312 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.828 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.6 OUTLIER -72.27 -51.24 21.79 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.987 -1.116 . . . . 71.239999999999995 107.987 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.828 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.62 -51.66 63.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 64.140000000000001 109.279 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.49 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -64.87 -33.32 62.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 75.209999999999994 109.315 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 7.0 t -67.61 -36.97 81.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 43.439999999999998 110.026 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.53 -32.09 69.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 34.509999999999998 109.286 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.7 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 64.319999999999993 109.298 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.598 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.531 0.205 . . . . 75.340000000000003 111.018 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.49 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.0 -18.89 15.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 64.239999999999995 109.333 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.39 -51.05 18.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 74.420000000000002 110.031 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.505 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -64.06 -13.12 44.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 74.200000000000003 109.283 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.504 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.0 t -77.55 -31.05 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 75.010000000000005 109.293 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.73 -57.56 17.27 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 71.510000000000005 110.981 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.616 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.2 Cg_endo -74.99 -25.54 11.79 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.478 1.778 . . . . 33.219999999999999 110.987 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.484 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.15 -24.84 11.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 75.129999999999995 109.292 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.488 ' O ' ' CB ' ' A' ' 26' ' ' SER . 4.0 t0 -71.07 -34.39 71.14 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 52.32 109.274 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.82 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.7 OUTLIER -72.24 -51.06 22.71 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.967 -1.123 . . . . 75.219999999999999 107.967 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.82 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.66 -51.61 64.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 61.219999999999999 109.281 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.492 ' N ' HG12 ' A' ' 24' ' ' VAL . 1.4 tp -64.77 -33.33 62.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 74.239999999999995 109.298 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 3.7 m -67.73 -36.9 81.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 63.240000000000002 109.998 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.57 -32.04 69.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 75.310000000000002 109.297 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.3 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 74.329999999999998 109.277 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.598 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.426 0.155 . . . . 74.340000000000003 110.959 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.504 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.12 -19.64 14.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 72.200000000000003 109.249 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -50.66 20.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 61.43 110.013 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.505 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.95 -13.25 44.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 71.109999999999999 109.334 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.512 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.1 t -77.5 -30.93 17.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 74.129999999999995 109.324 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.83 -57.57 17.38 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 72.430000000000007 111.009 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.617 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.3 Cg_endo -75.0 -25.51 11.79 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 74.420000000000002 111.008 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.18 -24.85 11.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 71.530000000000001 109.258 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.488 ' O ' ' CB ' ' A' ' 26' ' ' SER . 3.5 t0 -71.06 -34.36 71.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 74.349999999999994 109.307 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.82 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.7 OUTLIER -72.2 -51.1 22.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 72.430000000000007 108.04 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.82 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.68 -51.54 65.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 74.430000000000007 109.324 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.493 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.7 OUTLIER -64.86 -33.23 62.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 73.439999999999998 109.332 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 3.7 m -67.77 -36.91 81.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 61.25 109.984 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.55 -32.04 69.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 54.100000000000001 109.314 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.6 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 33.149999999999999 109.288 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.598 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.494 0.188 . . . . 70.439999999999998 110.984 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.507 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.48 -18.96 13.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 44.450000000000003 109.313 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.24 -51.23 18.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 72.439999999999998 110.03 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.505 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.99 -13.19 44.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 74.310000000000002 109.309 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.507 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.0 t -77.54 -30.91 17.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 64.340000000000003 109.269 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.86 -57.59 17.34 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.131 . . . . 74.129999999999995 111.009 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.619 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.2 Cg_endo -75.01 -25.41 11.88 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.556 1.819 . . . . 65.109999999999999 111.022 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.22 -24.87 12.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 71.049999999999997 109.347 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.1 t70 -71.07 -34.26 71.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 70.120000000000005 109.303 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.821 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.7 OUTLIER -72.28 -51.21 21.88 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.953 -1.128 . . . . 75.209999999999994 107.953 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.821 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.59 -51.68 62.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 72.340000000000003 109.308 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.494 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.3 OUTLIER -64.88 -33.29 62.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 72.040000000000006 109.306 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 6.7 t -67.72 -36.83 81.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 73.150000000000006 110.006 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.6 -32.03 69.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 64.409999999999997 109.33 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.5 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 40.109999999999999 109.274 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.603 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.481 0.181 . . . . 71.5 111.007 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.484 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.64 -19.05 14.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 74.540000000000006 109.264 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -73.55 -50.89 19.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 73.010000000000005 109.998 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.507 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.99 -13.16 44.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 24.219999999999999 109.322 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.489 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.0 t -77.53 -30.99 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 73.019999999999996 109.28 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.85 -57.54 17.55 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 24.050000000000001 111.014 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.624 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.3 Cg_endo -74.99 -25.45 11.88 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.442 1.759 . . . . 75.219999999999999 111.037 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.28 -24.74 12.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 64.409999999999997 109.293 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.2 t70 -71.16 -34.29 70.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 63.439999999999998 109.303 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.826 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.7 OUTLIER -72.19 -51.22 22.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 74.25 108.021 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.826 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -56.6 -51.72 62.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 75.120000000000005 109.327 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.483 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.5 OUTLIER -64.83 -33.32 62.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 73.5 109.328 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 6.9 t -67.64 -36.88 81.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 72.349999999999994 109.983 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.6 -32.1 69.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 60.409999999999997 109.27 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.9 t . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 64.019999999999996 109.309 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.607 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.456 0.17 . . . . 72.329999999999998 110.998 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.508 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -55.99 -19.71 13.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 73.099999999999994 109.327 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 p -73.6 -50.7 19.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 72.530000000000001 109.968 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.504 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.93 -13.27 44.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 74.239999999999995 109.323 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.514 HG21 ' HE1' ' A' ' 14' ' ' TYR . 3.1 t -77.48 -30.85 17.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 71.209999999999994 109.312 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.94 -57.63 17.32 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.471 1.107 . . . . 65.109999999999999 110.988 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.614 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.3 Cg_endo -74.98 -25.4 11.94 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 61.329999999999998 111.0 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.33 -24.79 12.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 72.340000000000003 109.279 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -71.19 -34.2 70.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 75.519999999999996 109.288 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.829 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.6 OUTLIER -72.26 -51.18 22.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 73.510000000000005 108.033 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.829 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.66 -51.62 64.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 52.350000000000001 109.314 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.493 ' N ' HG12 ' A' ' 24' ' ' VAL . 2.7 tp -64.91 -33.26 62.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 74.140000000000001 109.331 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 6.9 t -67.69 -36.9 81.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 63.530000000000001 109.995 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.53 -32.11 69.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 71.019999999999996 109.32 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.5 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 73.329999999999998 109.273 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.61 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.531 0.205 . . . . 64.510000000000005 111.021 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.506 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.65 -19.01 14.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.504 1.127 . . . . 72.420000000000002 109.343 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.8 t -73.55 -50.94 18.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 71.329999999999998 109.984 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.509 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -64.02 -13.17 44.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 74.439999999999998 109.313 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.5 HG21 ' HE1' ' A' ' 14' ' ' TYR . 3.0 t -77.54 -30.9 17.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 65.010000000000005 109.29 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.8 -57.63 17.11 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.115 . . . . 31.149999999999999 110.992 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.623 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.2 Cg_endo -75.0 -25.43 11.86 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.488 1.783 . . . . 71.340000000000003 110.98 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.31 -24.79 12.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 71.129999999999995 109.269 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -71.18 -34.2 70.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 71.129999999999995 109.285 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.83 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.6 OUTLIER -72.27 -51.15 22.17 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.03 -1.1 . . . . 75.5 108.03 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.83 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.64 -51.68 63.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 72.129999999999995 109.291 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.494 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -64.84 -33.39 63.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 65.510000000000005 109.279 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 6.9 t -67.61 -36.91 81.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 74.129999999999995 109.99 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.56 -32.09 69.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 73.310000000000002 109.338 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.9 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 72.310000000000002 109.32 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.614 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.489 0.185 . . . . 74.319999999999993 111.046 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.504 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.87 -18.55 13.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 72.030000000000001 109.295 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.45 -51.64 16.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 71.310000000000002 109.996 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.513 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.96 -13.11 43.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.436 1.085 . . . . 73.450000000000003 109.297 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.537 HG21 ' HE1' ' A' ' 14' ' ' TYR . 3.1 t -77.72 -30.15 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 63.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.65 -57.47 18.6 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 32.399999999999999 110.977 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.625 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.5 Cg_endo -74.97 -25.27 12.07 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 64.209999999999994 111.04 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -54.59 -23.8 18.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 61.130000000000003 109.293 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -73.87 -31.91 63.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 72.340000000000003 109.273 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.849 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -72.18 -52.23 17.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 73.420000000000002 107.991 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.849 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.63 -51.48 65.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 75.230000000000004 109.288 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.486 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.1 OUTLIER -64.34 -32.98 59.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 74.219999999999999 109.274 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 6.8 t -68.26 -37.44 80.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 61.210000000000001 110.013 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.56 -32.1 69.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 73.239999999999995 109.33 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.6 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 64.420000000000002 109.265 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.605 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.44 0.162 . . . . 73.209999999999994 111.008 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.544 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -66.0 -16.14 63.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 52.219999999999999 109.33 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.401 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -69.54 -58.3 4.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 74.140000000000001 109.981 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.5 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -64.0 -13.14 44.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 64.200000000000003 109.292 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.0 t -77.57 -31.01 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 70.319999999999993 109.309 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.7 -57.59 17.08 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.521 1.138 . . . . 63.210000000000001 111.011 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.62 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.4 Cg_endo -74.98 -25.48 11.86 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 74.150000000000006 111.02 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.28 -24.76 12.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 70.310000000000002 109.317 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.7 OUTLIER -71.08 -34.34 71.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 74.25 109.342 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.82 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.7 OUTLIER -72.25 -51.07 22.62 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.011 -1.107 . . . . 64.530000000000001 108.011 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.82 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.65 -51.56 64.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 72.25 109.287 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.494 ' N ' HG12 ' A' ' 24' ' ' VAL . 1.8 tp -64.87 -33.3 62.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 61.520000000000003 109.32 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 3.7 m -67.7 -36.91 81.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 62.119999999999997 110.005 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.58 -32.02 69.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 62.520000000000003 109.277 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.5 t . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 64.439999999999998 109.28 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.607 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.492 0.187 . . . . 74.340000000000003 111.011 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.538 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -66.07 -16.23 63.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 64.450000000000003 109.291 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.42 -42.68 61.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 75.409999999999997 109.993 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.505 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -77.81 -13.93 59.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 64.230000000000004 109.292 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.463 HG21 ' HE1' ' A' ' 14' ' ' TYR . 3.1 t -77.5 -30.97 17.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 72.140000000000001 109.282 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.86 -57.57 17.46 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.516 1.135 . . . . 63.0 110.951 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.616 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.4 Cg_endo -75.01 -25.4 11.88 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.514 1.797 . . . . 64.040000000000006 111.026 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.31 -24.84 12.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 62.229999999999997 109.301 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.2 t70 -71.1 -34.17 70.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 63.43 109.342 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.808 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.7 OUTLIER -72.24 -51.29 21.68 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.968 -1.123 . . . . 63.520000000000003 107.968 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.808 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.58 -51.67 62.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 74.209999999999994 109.313 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.493 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -64.87 -33.28 62.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.095 . . . . 62.240000000000002 109.333 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 6.8 t -67.73 -36.88 81.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 52.299999999999997 109.97 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.57 -32.11 69.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 72.230000000000004 109.276 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 24' ' ' VAL . 99.6 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 61.140000000000001 109.306 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.6 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.468 0.175 . . . . 71.109999999999999 110.977 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.492 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.81 -19.02 14.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 74.200000000000003 109.317 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.58 -50.8 19.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 72.299999999999997 109.982 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.503 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -64.01 -13.23 45.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 73.129999999999995 109.277 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.496 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.1 t -77.56 -30.37 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 64.109999999999999 109.305 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.51 -57.66 17.6 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.474 1.109 . . . . 64.239999999999995 111.009 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.625 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.3 Cg_endo -75.0 -24.82 12.45 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.566 1.824 . . . . 51.039999999999999 111.005 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.491 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.96 -25.0 18.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 53.43 109.308 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.97 -32.49 67.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 75.530000000000001 109.292 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.862 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -72.48 -51.98 17.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 73.530000000000001 107.989 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.984 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -56.62 -52.93 47.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 74.140000000000001 109.282 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.524 ' N ' HG12 ' A' ' 24' ' ' VAL . 3.2 tp -60.27 -34.59 57.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 74.299999999999997 109.337 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.9 t -66.01 -44.14 85.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 64.549999999999997 110.026 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.69 -30.07 66.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 65.439999999999998 109.329 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.984 HG23 ' O ' ' A' ' 24' ' ' VAL . 90.6 t . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 71.340000000000003 109.348 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.601 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.51 0.195 . . . . 64.329999999999998 111.017 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.491 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.22 -18.82 17.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 75.519999999999996 109.32 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.57 -50.79 19.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 73.230000000000004 110.009 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.509 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.94 -13.28 44.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 55.240000000000002 109.339 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.467 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.1 t -77.53 -30.27 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 53.329999999999998 109.282 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.6 -57.67 17.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.458 1.099 . . . . 63.210000000000001 110.989 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.63 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.4 Cg_endo -75.0 -24.78 12.5 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.45 1.763 . . . . 71.120000000000005 111.016 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -54.03 -25.03 19.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.077 . . . . 53.350000000000001 109.285 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -71.91 -32.52 67.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 64.439999999999998 109.296 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.864 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -72.48 -51.96 17.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 73.010000000000005 108.018 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.988 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -56.6 -52.91 47.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 74.200000000000003 109.304 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.506 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -60.32 -34.6 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 73.329999999999998 109.29 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.8 t -66.0 -44.11 85.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 31.25 110.036 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.75 -30.03 66.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 51.219999999999999 109.309 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.988 HG23 ' O ' ' A' ' 24' ' ' VAL . 89.3 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 63.310000000000002 109.318 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.616 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.479 0.181 . . . . 75.420000000000002 111.034 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.505 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.99 -19.01 15.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 73.420000000000002 109.32 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -73.48 -51.05 18.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 62.210000000000001 110.009 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.496 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.97 -13.24 44.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 73.519999999999996 109.329 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.489 HG21 ' HE1' ' A' ' 14' ' ' TYR . 3.1 t -77.51 -30.31 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 75.340000000000003 109.312 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.64 -57.64 17.81 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.525 1.141 . . . . 52.020000000000003 110.975 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.632 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.2 Cg_endo -75.03 -24.83 12.39 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.522 1.801 . . . . 54.539999999999999 110.984 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.491 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.93 -25.1 18.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 64.019999999999996 109.343 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -71.9 -32.53 67.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 72.239999999999995 109.278 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.863 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -72.44 -52.0 17.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 72.409999999999997 107.986 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 1.004 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -56.59 -52.98 46.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 73.049999999999997 109.29 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.522 ' N ' HG12 ' A' ' 24' ' ' VAL . 1.0 OUTLIER -60.27 -34.56 57.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 61.420000000000002 109.302 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.6 t -66.11 -43.98 85.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 74.140000000000001 109.976 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.8 -30.02 66.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 55.450000000000003 109.295 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 1.004 HG23 ' O ' ' A' ' 24' ' ' VAL . 92.2 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 51.32 109.271 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.6 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.494 0.187 . . . . 72.040000000000006 110.967 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.478 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.74 -18.94 14.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 71.329999999999998 109.299 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.49 -51.09 18.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 54.539999999999999 110.038 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.508 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.98 -13.23 44.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 70.040000000000006 109.287 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.504 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.1 t -77.51 -30.37 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 73.450000000000003 109.291 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.55 -57.68 17.56 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 43.43 110.979 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.625 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.2 Cg_endo -74.96 -24.79 12.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.452 1.764 . . . . 72.510000000000005 111.02 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -54.09 -24.98 19.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 73.349999999999994 109.258 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -72.01 -32.46 67.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.095 . . . . 53.340000000000003 109.278 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.859 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -72.45 -52.0 17.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 73.030000000000001 107.996 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.981 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -56.52 -53.05 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 74.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.508 ' N ' HG12 ' A' ' 24' ' ' VAL . 1.2 tp -60.22 -34.54 57.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 65.219999999999999 109.312 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.2 t -66.15 -44.09 85.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 64.150000000000006 109.977 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.71 -30.08 66.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 72.209999999999994 109.305 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.981 HG23 ' O ' ' A' ' 24' ' ' VAL . 88.3 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 70.109999999999999 109.299 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.602 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.522 0.201 . . . . 74.420000000000002 110.984 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.485 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.12 -18.85 16.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 73.219999999999999 109.277 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.48 -51.07 18.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 51.210000000000001 109.976 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.503 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -64.01 -13.24 45.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.158 . . . . 73.200000000000003 109.301 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.499 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.1 t -77.51 -30.3 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 73.129999999999995 109.31 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.59 -57.7 17.48 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 43.350000000000001 110.953 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.621 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.3 Cg_endo -74.96 -24.82 12.55 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.477 1.778 . . . . 73.329999999999998 111.011 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -54.0 -24.97 18.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 24.43 109.307 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.99 -32.53 67.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 74.5 109.293 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.866 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -72.39 -51.99 17.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 73.409999999999997 108.048 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.99 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -56.59 -52.98 46.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 74.299999999999997 109.254 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.522 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -60.31 -34.52 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 61.299999999999997 109.307 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.2 t -66.14 -44.06 85.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 72.420000000000002 110.006 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.72 -30.09 66.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 71.439999999999998 109.279 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.99 HG23 ' O ' ' A' ' 24' ' ' VAL . 91.2 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 73.430000000000007 109.339 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.61 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.5 0.19 . . . . 73.420000000000002 110.993 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.492 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.18 -18.8 17.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 71.209999999999994 109.316 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.51 -50.9 19.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 70.099999999999994 109.973 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.495 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -64.0 -13.24 45.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 52.229999999999997 109.266 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.472 HG21 ' HE1' ' A' ' 14' ' ' TYR . 3.1 t -77.54 -30.31 16.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 45.539999999999999 109.3 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.59 -57.62 17.88 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.527 1.142 . . . . 45.43 111.002 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.624 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.2 Cg_endo -75.03 -24.84 12.39 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.46 1.768 . . . . 53.409999999999997 110.957 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.98 -25.05 18.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 72.129999999999995 109.323 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.91 -32.53 67.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 52.219999999999999 109.321 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.856 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -72.44 -52.01 17.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 62.530000000000001 107.987 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 1.009 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -56.55 -52.94 47.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 71.209999999999994 109.343 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.509 ' N ' HG12 ' A' ' 24' ' ' VAL . 1.2 tp -60.34 -34.55 58.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 61.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.6 t -66.13 -43.97 85.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 74.019999999999996 110.001 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.79 -30.04 66.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 72.010000000000005 109.288 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 1.009 HG23 ' O ' ' A' ' 24' ' ' VAL . 92.4 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 73.030000000000001 109.278 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.597 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.498 0.19 . . . . 63.350000000000001 110.971 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.541 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -66.01 -16.09 63.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 62.310000000000002 109.331 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.414 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 20.0 t -72.17 -58.38 3.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 73.239999999999995 110.017 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.509 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.96 -13.19 44.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 44.439999999999998 109.308 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.42 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.0 t -77.54 -31.01 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 75.140000000000001 109.286 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.83 -57.52 17.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.466 1.104 . . . . 71.120000000000005 111.011 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.618 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.3 Cg_endo -75.04 -25.45 11.78 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.513 1.796 . . . . 60.25 110.98 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.26 -24.78 12.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 70.319999999999993 109.306 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.4 OUTLIER -71.19 -34.25 70.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 74.209999999999994 109.297 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.829 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.6 OUTLIER -72.29 -51.13 22.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 73.120000000000005 107.978 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.829 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.66 -51.66 63.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 55.439999999999998 109.335 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.493 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -64.85 -33.31 62.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 71.129999999999995 109.299 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 6.6 t -67.74 -36.78 81.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 62.5 109.976 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.61 -32.12 69.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 44.450000000000003 109.292 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.4 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 61.140000000000001 109.283 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.598 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.497 0.189 . . . . 75.140000000000001 110.994 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.491 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.09 -18.86 16.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 75.239999999999995 109.328 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.48 -51.09 18.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 75.200000000000003 110.051 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.51 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.98 -13.16 44.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.103 . . . . 45.420000000000002 109.312 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.509 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.2 t -77.61 -29.93 16.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 71.239999999999995 109.34 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.95 -57.47 18.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.568 1.168 . . . . 63.43 111.021 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.627 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.4 Cg_endo -74.92 -25.06 12.4 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.465 1.771 . . . . 60.520000000000003 111.049 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.484 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -54.97 -23.87 21.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 54.210000000000001 109.288 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.2 -30.97 62.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 55.549999999999997 109.289 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.862 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.4 OUTLIER -72.44 -52.5 15.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 74.540000000000006 107.977 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.997 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -56.54 -52.8 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 75.5 109.283 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.51 ' N ' HG12 ' A' ' 24' ' ' VAL . 1.5 tt -60.07 -34.43 56.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 73.209999999999994 109.297 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.4 t -66.47 -44.18 83.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 74.510000000000005 110.022 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.7 -30.04 66.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 54.240000000000002 109.291 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.997 HG23 ' O ' ' A' ' 24' ' ' VAL . 90.0 t . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 63.350000000000001 109.313 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.255 -0.646 . . . . 64.530000000000001 109.255 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -157.69 53.66 0.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 74.230000000000004 110.974 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.414 ' CD2' ' C ' ' A' ' 3' ' ' HIS . 0.7 OUTLIER -176.91 -38.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 73.099999999999994 109.625 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.4 -16.63 64.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 72.310000000000002 109.31 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -74.36 177.96 5.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 72.349999999999994 111.017 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -147.09 94.85 2.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 75.420000000000002 109.995 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.647 ' HB3' ' NH2' ' A' ' 8' ' ' ARG . . . -59.11 -34.4 71.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 74.409999999999997 109.324 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.647 ' NH2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -65.37 -13.63 59.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.165 . . . . 51.439999999999998 110.308 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.55 -32.86 3.78 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.456 1.098 . . . . 74.219999999999999 110.99 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.506 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -65.53 -49.85 75.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 0.757 . . . . 71.519999999999996 109.257 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.506 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 4.0 ptm180 -66.3 -40.92 90.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 75.150000000000006 110.312 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 8' ' ' ARG . 1.6 m-80 -59.6 -21.71 60.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 65.109999999999999 109.343 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -90.58 -16.37 28.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 74.129999999999995 109.348 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.607 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -80.97 -44.05 18.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 64.329999999999998 111.025 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.495 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.08 -18.82 16.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 71.420000000000002 109.299 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.52 -50.97 18.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 73.450000000000003 110.007 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.504 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.9 -13.29 44.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 75.239999999999995 109.273 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.491 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.0 t -77.47 -30.95 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 63.039999999999999 109.351 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.82 -57.64 17.06 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 50.539999999999999 111.0 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.622 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.4 Cg_endo -74.97 -25.42 11.95 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.515 1.797 . . . . 74.439999999999998 110.996 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.24 -24.85 12.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 74.239999999999995 109.331 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.7 OUTLIER -71.1 -34.22 70.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 74.430000000000007 109.321 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.823 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.7 OUTLIER -72.23 -51.21 22.03 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.975 -1.12 . . . . 70.140000000000001 107.975 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.823 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -56.65 -51.66 63.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 71.049999999999997 109.326 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.493 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -64.8 -33.38 63.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 72.019999999999996 109.331 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 6.7 t -67.61 -36.94 81.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 70.329999999999998 109.976 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.59 -32.05 69.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 73.310000000000002 109.292 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.9 t -69.01 -52.75 30.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 72.25 109.338 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.591 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.95 -26.45 63.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 75.530000000000001 110.313 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.576 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -72.76 -36.16 58.18 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.507 1.129 . . . . 73.310000000000002 111.029 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.12 -28.1 42.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 0.735 . . . . 73.340000000000003 111.046 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.591 HG22 ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -56.81 -41.72 76.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 52.539999999999999 109.354 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.576 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.0 p80 -81.78 -14.21 56.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 74.409999999999997 109.605 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.453 1.095 . . . . 62.350000000000001 111.015 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.7 m . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.267 -0.642 . . . . 73.040000000000006 109.267 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.549 ' O ' ' CD2' ' A' ' 2' ' ' PHE . 33.3 p90 -169.25 39.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 73.140000000000001 110.981 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.521 ' C ' ' CD2' ' A' ' 3' ' ' HIS . 0.2 OUTLIER -176.89 -38.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 74.519999999999996 109.601 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.76 -45.67 49.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 71.540000000000006 109.28 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.529 ' C ' ' CD1' ' A' ' 5' ' ' TYR . 2.2 p90 -70.45 151.14 45.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 54.329999999999998 110.993 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 m -159.23 94.82 1.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 60.399999999999999 109.987 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.522 ' HB3' ' NH2' ' A' ' 8' ' ' ARG . . . -59.38 -34.45 72.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 60.340000000000003 109.35 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.522 ' NH2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -65.1 -13.8 58.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 72.540000000000006 110.331 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.68 -32.78 3.77 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.512 1.132 . . . . 73.439999999999998 110.992 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.502 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -65.59 -49.78 75.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 73.140000000000001 109.274 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.502 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 1.0 OUTLIER -66.58 -40.97 89.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 64.420000000000002 110.303 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 8' ' ' ARG . 1.5 m-80 -59.53 -21.73 60.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 71.430000000000007 109.295 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.476 ' N ' HD22 ' A' ' 13' ' ' ASN . 1.2 m-80 -90.58 -16.51 28.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 71.510000000000005 109.279 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.616 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -81.03 -44.07 18.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 73.099999999999994 110.998 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.49 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.11 -18.83 16.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 72.340000000000003 109.292 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.48 -51.02 18.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 64.040000000000006 110.034 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.495 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.98 -13.15 44.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 65.209999999999994 109.261 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.498 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.0 t -77.62 -30.88 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 60.039999999999999 109.279 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.87 -57.56 17.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.453 1.095 . . . . 61.130000000000003 110.983 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.622 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.4 Cg_endo -75.0 -25.44 11.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 75.340000000000003 111.022 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.28 -24.84 12.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 72.099999999999994 109.262 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.8 t0 -71.11 -34.24 70.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 71.040000000000006 109.291 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.825 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.6 OUTLIER -72.25 -51.2 22.04 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.984 -1.117 . . . . 75.450000000000003 107.984 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.825 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.63 -51.69 62.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.08 . . . . 72.200000000000003 109.281 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.492 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.3 OUTLIER -64.86 -33.28 62.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 53.210000000000001 109.289 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.498 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 6.6 t -67.65 -36.92 81.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 65.329999999999998 109.99 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.59 -32.06 69.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 62.310000000000002 109.261 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.8 t -69.04 -52.75 30.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 51.030000000000001 109.313 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.583 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.88 -26.54 63.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 71.209999999999994 110.334 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.571 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -72.73 -36.18 58.3 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 43.509999999999998 111.007 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.15 -28.11 42.79 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 0.785 . . . . 64.239999999999995 110.991 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.583 HG22 ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -56.8 -41.76 76.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 75.510000000000005 109.32 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.571 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.1 p80 -81.82 -14.17 56.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 63.43 109.585 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.544 1.153 . . . . 63.32 111.051 179.954 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.748 HG21 ' HB3' ' A' ' 4' ' ' ALA . 3.4 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.277 -0.638 . . . . 62.439999999999998 109.277 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.55 ' H ' HG12 ' A' ' 1' ' ' VAL . 2.9 m-30 -86.48 15.2 5.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 73.200000000000003 111.018 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -176.91 -38.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 74.239999999999995 109.597 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.748 ' HB3' HG21 ' A' ' 1' ' ' VAL . . . -65.68 -24.83 67.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 64.129999999999995 109.334 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -176.3 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 73.340000000000003 110.971 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.0 m 40.66 91.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 64.340000000000003 110.003 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.676 ' HB3' ' NH2' ' A' ' 8' ' ' ARG . . . -59.18 -34.37 72.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 74.200000000000003 109.304 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.676 ' NH2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -64.41 -13.7 52.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 74.120000000000005 110.287 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.06 -31.44 4.12 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.523 1.14 . . . . 31.219999999999999 110.996 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.503 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -67.51 -49.78 67.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 0.765 . . . . 63.140000000000001 109.323 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.503 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 0.7 OUTLIER -66.46 -40.94 89.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 64.140000000000001 110.273 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 8' ' ' ARG . 1.7 m-80 -59.64 -21.61 60.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 75.439999999999998 109.296 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -90.62 -16.39 28.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.589 1.181 . . . . 55.399999999999999 109.331 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.599 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -80.99 -44.17 18.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 73.329999999999998 111.022 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.486 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.1 -18.85 16.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 64.200000000000003 109.273 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -73.54 -51.13 18.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 74.040000000000006 109.959 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.501 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.92 -13.23 43.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 61.100000000000001 109.313 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.494 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.0 t -77.53 -30.96 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 71.129999999999995 109.307 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.81 -57.55 17.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.536 1.147 . . . . 73.540000000000006 111.016 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.618 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.2 Cg_endo -74.99 -25.42 11.9 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.53 1.805 . . . . 65.329999999999998 111.008 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.32 -24.77 12.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 64.140000000000001 109.297 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.5 OUTLIER -71.14 -34.21 70.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 63.140000000000001 109.312 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.828 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.6 OUTLIER -72.27 -51.24 21.79 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.987 -1.116 . . . . 71.239999999999995 107.987 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.828 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.62 -51.66 63.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 64.140000000000001 109.279 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.49 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -64.87 -33.32 62.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 75.209999999999994 109.315 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 7.0 t -67.61 -36.97 81.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 43.439999999999998 110.026 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.53 -32.09 69.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 34.509999999999998 109.286 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.7 t -69.05 -52.72 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 64.319999999999993 109.298 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.59 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.95 -26.4 63.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.163 . . . . 75.319999999999993 110.341 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.579 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -72.8 -36.14 58.05 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.496 1.122 . . . . 72.219999999999999 111.012 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.19 -28.13 42.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 0.777 . . . . 73.140000000000001 110.965 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.59 HG22 ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -56.74 -41.71 75.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 70.400000000000006 109.326 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.579 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.1 p80 -81.88 -14.18 56.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 74.409999999999997 109.584 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.545 1.153 . . . . 72.530000000000001 111.02 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.334 -0.617 . . . . 51.5 109.334 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.538 ' O ' ' CD2' ' A' ' 2' ' ' PHE . 33.7 p90 -164.9 44.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 65.230000000000004 110.975 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.418 ' CD2' ' C ' ' A' ' 3' ' ' HIS . 0.6 OUTLIER -176.92 -38.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 64.010000000000005 109.589 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.63 -39.44 80.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 71.230000000000004 109.29 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 49.54 -177.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 74.200000000000003 110.988 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 m 44.26 93.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 65.310000000000002 110.001 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.711 ' HB3' ' NH2' ' A' ' 8' ' ' ARG . . . -58.6 -35.05 71.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 72.549999999999997 109.279 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.711 ' NH2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -65.55 -15.5 62.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 72.349999999999994 110.291 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.52 -31.79 4.77 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.106 . . . . 62.420000000000002 110.973 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.504 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -68.12 -49.83 63.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.761 . . . . 75.409999999999997 109.288 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.504 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 8.2 ptm180 -65.14 -40.9 95.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 72.439999999999998 110.341 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 8' ' ' ARG . 1.6 m-80 -59.55 -21.69 60.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 64.549999999999997 109.327 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -90.57 -16.4 28.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 73.439999999999998 109.344 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.598 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -80.93 -44.14 18.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 75.340000000000003 111.018 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.49 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.0 -18.89 15.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 64.239999999999995 109.333 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.39 -51.05 18.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 74.420000000000002 110.031 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.505 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -64.06 -13.12 44.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 74.200000000000003 109.283 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.504 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.0 t -77.55 -31.05 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 75.010000000000005 109.293 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.73 -57.56 17.27 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 71.510000000000005 110.981 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.616 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.2 Cg_endo -74.99 -25.54 11.79 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.478 1.778 . . . . 33.219999999999999 110.987 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.484 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.15 -24.84 11.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 75.129999999999995 109.292 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.488 ' O ' ' CB ' ' A' ' 26' ' ' SER . 4.0 t0 -71.07 -34.39 71.14 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 52.32 109.274 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.82 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.7 OUTLIER -72.24 -51.06 22.71 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.967 -1.123 . . . . 75.219999999999999 107.967 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.82 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.66 -51.61 64.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 61.219999999999999 109.281 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.492 ' N ' HG12 ' A' ' 24' ' ' VAL . 1.4 tp -64.77 -33.33 62.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 74.239999999999995 109.298 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.494 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 3.7 m -67.73 -36.9 81.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 63.240000000000002 109.998 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.57 -32.04 69.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 75.310000000000002 109.297 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.3 t -69.11 -52.75 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 74.329999999999998 109.277 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.583 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.87 -26.45 63.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 71.349999999999994 110.349 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.578 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -72.8 -36.12 58.08 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.118 . . . . 53.310000000000002 111.023 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.17 -28.1 42.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 71.030000000000001 111.025 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.583 HG22 ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -56.82 -41.7 76.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 74.329999999999998 109.291 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.578 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.0 p80 -81.87 -14.13 56.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 73.340000000000003 109.589 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.448 1.092 . . . . 41.149999999999999 110.976 -179.977 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.424 HG11 HG21 ' A' ' 10' ' ' VAL . 1.6 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.328 -0.619 . . . . 74.129999999999995 109.328 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -159.55 33.89 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 74.340000000000003 110.994 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.508 ' C ' ' CD2' ' A' ' 3' ' ' HIS . 0.3 OUTLIER -176.86 -38.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 71.420000000000002 109.599 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.0 -43.49 71.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 64.129999999999995 109.278 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 49.06 -172.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 65.299999999999997 110.999 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.2 m 42.48 92.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 75.420000000000002 110.012 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.675 ' HB3' ' NH2' ' A' ' 8' ' ' ARG . . . -58.9 -35.05 72.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 63.32 109.335 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.675 ' NH2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -65.12 -14.06 59.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 74.120000000000005 110.281 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.27 -32.36 4.33 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 63.509999999999998 111.058 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.502 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -67.65 -49.74 67.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 74.219999999999999 109.336 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.502 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 7.6 ptm180 -65.81 -40.85 92.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 72.329999999999998 110.287 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 8' ' ' ARG . 1.6 m-80 -59.54 -21.81 60.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 73.430000000000007 109.27 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.467 ' N ' HD22 ' A' ' 13' ' ' ASN . 1.0 OUTLIER -90.46 -16.94 28.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 73.439999999999998 109.292 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.598 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -81.04 -44.63 17.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 74.340000000000003 110.959 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.504 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.12 -19.64 14.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 72.200000000000003 109.249 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -50.66 20.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 61.43 110.013 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.505 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.95 -13.25 44.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 71.109999999999999 109.334 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.512 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.1 t -77.5 -30.93 17.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 74.129999999999995 109.324 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.83 -57.57 17.38 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 72.430000000000007 111.009 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.617 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.3 Cg_endo -75.0 -25.51 11.79 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 74.420000000000002 111.008 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.18 -24.85 11.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 71.530000000000001 109.258 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.488 ' O ' ' CB ' ' A' ' 26' ' ' SER . 3.5 t0 -71.06 -34.36 71.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 74.349999999999994 109.307 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.82 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.7 OUTLIER -72.2 -51.1 22.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 72.430000000000007 108.04 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.82 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.68 -51.54 65.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 74.430000000000007 109.324 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.493 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.7 OUTLIER -64.86 -33.23 62.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 73.439999999999998 109.332 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.493 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 3.7 m -67.77 -36.91 81.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 61.25 109.984 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.55 -32.04 69.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 54.100000000000001 109.314 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.6 t -69.12 -52.68 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 33.149999999999999 109.288 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.584 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.96 -26.46 63.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 70.109999999999999 110.302 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.579 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -72.72 -36.22 58.29 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 63.32 111.003 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.17 -28.12 42.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 0.797 . . . . 54.409999999999997 111.018 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.584 HG22 ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -56.83 -41.67 76.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 71.329999999999998 109.319 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.579 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.0 p80 -81.81 -14.15 56.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 63.229999999999997 109.617 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 71.400000000000006 110.988 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 17.0 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.345 -0.613 . . . . 74.319999999999993 109.345 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.464 ' O ' ' CD2' ' A' ' 2' ' ' PHE . 39.6 p90 -162.44 41.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 75.510000000000005 111.011 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.523 ' C ' ' CD2' ' A' ' 3' ' ' HIS . 0.2 OUTLIER -176.9 -38.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 74.299999999999997 109.548 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.22 -50.02 69.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 62.200000000000003 109.304 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.402 ' O ' ' O ' ' A' ' 6' ' ' SER . 12.8 m-85 53.3 -173.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 65.299999999999997 110.998 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 5' ' ' TYR . 57.0 m 43.96 93.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 71.019999999999996 110.024 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.631 ' HB3' ' NH2' ' A' ' 8' ' ' ARG . . . -59.01 -35.16 72.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 72.420000000000002 109.285 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.631 ' NH2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -64.18 -13.06 46.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 72.510000000000005 110.325 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.96 -34.79 3.14 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.448 1.092 . . . . 62.340000000000003 111.046 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.51 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -62.75 -50.04 81.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.543 0.79 . . . . 72.239999999999995 109.271 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.523 ' NH2' ' HB1' ' A' ' 7' ' ' ALA . 9.5 ptp180 -69.99 -39.82 75.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 52.100000000000001 110.272 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 8' ' ' ARG . 1.5 m-80 -59.3 -22.29 60.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 71.400000000000006 109.314 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -89.87 -17.54 27.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 71.439999999999998 109.342 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.598 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -80.97 -44.63 17.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.078 . . . . 70.439999999999998 110.984 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.507 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.48 -18.96 13.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 44.450000000000003 109.313 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.24 -51.23 18.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 72.439999999999998 110.03 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.505 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.99 -13.19 44.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 74.310000000000002 109.309 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.507 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.0 t -77.54 -30.91 17.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 64.340000000000003 109.269 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.86 -57.59 17.34 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.131 . . . . 74.129999999999995 111.009 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.619 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.2 Cg_endo -75.01 -25.41 11.88 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.556 1.819 . . . . 65.109999999999999 111.022 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.22 -24.87 12.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 71.049999999999997 109.347 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.1 t70 -71.07 -34.26 71.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 70.120000000000005 109.303 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.821 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.7 OUTLIER -72.28 -51.21 21.88 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.953 -1.128 . . . . 75.209999999999994 107.953 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.821 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.59 -51.68 62.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 72.340000000000003 109.308 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.494 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.3 OUTLIER -64.88 -33.29 62.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 72.040000000000006 109.306 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 6.7 t -67.72 -36.83 81.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 73.150000000000006 110.006 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.6 -32.03 69.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 64.409999999999997 109.33 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.5 t -69.1 -52.71 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 40.109999999999999 109.274 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.581 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.96 -26.41 63.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 72.329999999999998 110.297 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.577 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -72.8 -36.24 58.0 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.442 1.089 . . . . 71.030000000000001 110.983 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.15 -28.02 42.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.756 . . . . 64.510000000000005 111.007 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.581 HG22 ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -56.88 -41.69 76.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 62.520000000000003 109.292 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.577 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.0 p80 -81.82 -14.18 56.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 71.219999999999999 109.612 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.522 1.139 . . . . 73.430000000000007 110.995 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.835 HG23 ' HB3' ' A' ' 4' ' ' ALA . 1.6 t . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.256 -0.646 . . . . 73.530000000000001 109.256 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.598 ' O ' ' CD1' ' A' ' 2' ' ' PHE . 6.5 t80 -86.72 5.19 37.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 74.129999999999995 111.002 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.674 ' NE2' HG23 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -176.81 -38.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 75.329999999999998 109.6 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.835 ' HB3' HG23 ' A' ' 1' ' ' VAL . . . -46.58 -35.25 5.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 54.25 109.266 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.418 ' HB3' ' N ' ' A' ' 1' ' ' VAL . 0.1 OUTLIER -72.1 -169.14 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 73.140000000000001 111.036 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.0 m 39.52 86.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 52.530000000000001 109.99 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.736 ' HB3' HH21 ' A' ' 8' ' ' ARG . . . -59.95 -34.35 73.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 61.350000000000001 109.297 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.736 HH21 ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -62.35 -13.48 29.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 75.329999999999998 110.273 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.48 -37.75 3.2 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.118 . . . . 44.229999999999997 111.019 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.674 HG23 ' NE2' ' A' ' 3' ' ' HIS . 0.4 OUTLIER -68.74 -49.86 60.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 0.787 . . . . 55.140000000000001 109.309 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.509 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 17.1 ptt180 -59.27 -40.41 85.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 63.509999999999998 110.298 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 8' ' ' ARG . 1.2 m-80 -59.3 -22.07 60.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 71.409999999999997 109.266 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -90.24 -17.34 27.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 71.230000000000004 109.25 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.603 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -80.99 -44.28 18.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 71.5 111.007 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.484 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.64 -19.05 14.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 74.540000000000006 109.264 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -73.55 -50.89 19.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 73.010000000000005 109.998 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.507 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.99 -13.16 44.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 24.219999999999999 109.322 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.489 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.0 t -77.53 -30.99 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 73.019999999999996 109.28 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.85 -57.54 17.55 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 24.050000000000001 111.014 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.624 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.3 Cg_endo -74.99 -25.45 11.88 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.442 1.759 . . . . 75.219999999999999 111.037 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.28 -24.74 12.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 64.409999999999997 109.293 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.2 t70 -71.16 -34.29 70.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 63.439999999999998 109.303 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.826 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.7 OUTLIER -72.19 -51.22 22.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 74.25 108.021 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.826 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -56.6 -51.72 62.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 75.120000000000005 109.327 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.483 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.5 OUTLIER -64.83 -33.32 62.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 73.5 109.328 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 6.9 t -67.64 -36.88 81.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 72.349999999999994 109.983 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.6 -32.1 69.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 60.409999999999997 109.27 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.9 t -69.07 -52.7 31.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 64.019999999999996 109.309 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.59 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.97 -26.46 63.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 73.409999999999997 110.299 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.577 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -72.74 -36.17 58.25 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 30.34 111.032 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.17 -28.15 42.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 63.439999999999998 111.006 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.59 HG22 ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -56.8 -41.74 76.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 61.340000000000003 109.303 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.577 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.0 p80 -81.76 -14.18 56.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 71.530000000000001 109.617 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.529 1.143 . . . . 23.420000000000002 110.973 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.742 HG23 ' N ' ' A' ' 2' ' ' PHE . 3.1 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.285 -0.635 . . . . 65.219999999999999 109.285 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.742 ' N ' HG23 ' A' ' 1' ' ' VAL . 1.0 OUTLIER 75.3 31.35 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 64.030000000000001 111.035 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.538 ' C ' ' CD2' ' A' ' 3' ' ' HIS . 0.1 OUTLIER -176.77 -38.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 74.329999999999998 109.58 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.88 -28.78 61.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 54.130000000000003 109.298 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.503 ' C ' ' CD1' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -69.38 179.42 2.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 71.049999999999997 111.016 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 m 45.62 94.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.551 1.157 . . . . 65.140000000000001 109.992 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.657 ' HB3' ' NH2' ' A' ' 8' ' ' ARG . . . -59.15 -34.47 72.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 73.340000000000003 109.279 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.657 ' NH2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -66.44 -14.33 62.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 74.150000000000006 110.305 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.78 -30.32 4.32 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.503 1.127 . . . . 62.229999999999997 110.953 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.506 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -66.88 -49.83 70.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 75.409999999999997 109.301 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.506 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 5.2 ptt85 -66.97 -40.9 87.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 74.530000000000001 110.311 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' A' ' 8' ' ' ARG . 1.7 m-80 -59.44 -21.81 60.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 75.299999999999997 109.288 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.449 ' N ' HD22 ' A' ' 13' ' ' ASN . 1.1 m-80 -90.5 -17.05 27.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 73.439999999999998 109.27 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.607 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -81.02 -44.66 17.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 72.329999999999998 110.998 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.508 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -55.99 -19.71 13.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 73.099999999999994 109.327 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 p -73.6 -50.7 19.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 72.530000000000001 109.968 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.504 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.93 -13.27 44.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 74.239999999999995 109.323 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.514 HG21 ' HE1' ' A' ' 14' ' ' TYR . 3.1 t -77.48 -30.85 17.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 71.209999999999994 109.312 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.94 -57.63 17.32 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.471 1.107 . . . . 65.109999999999999 110.988 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.614 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.3 Cg_endo -74.98 -25.4 11.94 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 61.329999999999998 111.0 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.33 -24.79 12.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 72.340000000000003 109.279 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -71.19 -34.2 70.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 75.519999999999996 109.288 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.829 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.6 OUTLIER -72.26 -51.18 22.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 73.510000000000005 108.033 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.829 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.66 -51.62 64.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 52.350000000000001 109.314 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.493 ' N ' HG12 ' A' ' 24' ' ' VAL . 2.7 tp -64.91 -33.26 62.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 74.140000000000001 109.331 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 6.9 t -67.69 -36.9 81.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 63.530000000000001 109.995 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.53 -32.11 69.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 71.019999999999996 109.32 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.5 t -69.08 -52.71 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 73.329999999999998 109.273 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.589 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.98 -26.46 63.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 74.349999999999994 110.27 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.576 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -72.71 -36.22 58.34 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.449 1.093 . . . . 75.219999999999999 110.995 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.14 -28.14 42.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 0.792 . . . . 71.230000000000004 110.98 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.589 HG22 ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -56.82 -41.73 76.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 71.400000000000006 109.274 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.576 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.1 p80 -81.82 -14.16 56.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 72.439999999999998 109.605 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 75.420000000000002 111.022 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.764 HG23 ' N ' ' A' ' 2' ' ' PHE . 3.1 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.313 -0.625 . . . . 73.439999999999998 109.313 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.764 ' N ' HG23 ' A' ' 1' ' ' VAL . 1.2 t80 75.34 31.26 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 74.209999999999994 111.015 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.501 ' C ' ' CD2' ' A' ' 3' ' ' HIS . 0.2 OUTLIER -176.7 -38.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 72.019999999999996 109.58 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.5 -46.45 48.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 53.240000000000002 109.265 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.437 ' CZ ' ' HB2' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -65.74 167.78 8.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 71.310000000000002 111.003 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.2 m -107.89 94.56 5.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 64.349999999999994 109.992 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.623 ' HB3' ' NH2' ' A' ' 8' ' ' ARG . . . -58.34 -34.52 70.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 73.109999999999999 109.273 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.623 ' NH2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -62.79 -17.65 61.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 74.540000000000006 110.285 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.4 ' O ' ' CG ' ' A' ' 13' ' ' ASN . . . -99.02 -35.32 4.85 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.527 1.142 . . . . 34.229999999999997 111.0 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.512 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -68.71 -49.73 61.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 0.751 . . . . 74.109999999999999 109.329 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.512 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 1.5 ptm180 -59.15 -40.43 85.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 75.340000000000003 110.307 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.443 ' N ' ' CG ' ' A' ' 11' ' ' ARG . 1.3 m-80 -59.51 -21.91 60.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 74.239999999999995 109.284 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 9' ' ' GLY . 3.2 m120 -90.29 -17.1 28.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 72.400000000000006 109.306 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.61 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -80.99 -44.41 18.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 64.510000000000005 111.021 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.506 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.65 -19.01 14.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.504 1.127 . . . . 72.420000000000002 109.343 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.8 t -73.55 -50.94 18.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 71.329999999999998 109.984 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.509 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -64.02 -13.17 44.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 74.439999999999998 109.313 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.5 HG21 ' HE1' ' A' ' 14' ' ' TYR . 3.0 t -77.54 -30.9 17.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 65.010000000000005 109.29 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.8 -57.63 17.11 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.115 . . . . 31.149999999999999 110.992 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.623 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.2 Cg_endo -75.0 -25.43 11.86 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.488 1.783 . . . . 71.340000000000003 110.98 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.31 -24.79 12.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 71.129999999999995 109.269 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -71.18 -34.2 70.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 71.129999999999995 109.285 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.83 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.6 OUTLIER -72.27 -51.15 22.17 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.03 -1.1 . . . . 75.5 108.03 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.83 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.64 -51.68 63.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 72.129999999999995 109.291 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.494 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -64.84 -33.39 63.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 65.510000000000005 109.279 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 6.9 t -67.61 -36.91 81.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 74.129999999999995 109.99 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.56 -32.09 69.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 73.310000000000002 109.338 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.9 t -69.01 -52.74 31.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 72.310000000000002 109.32 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.583 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.91 -26.51 63.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 74.530000000000001 110.267 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.574 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -72.73 -36.22 58.27 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.466 1.104 . . . . 64.200000000000003 110.981 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.14 -28.15 42.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 0.74 . . . . 54.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.583 HG22 ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -56.8 -41.69 76.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 73.200000000000003 109.295 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.574 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.0 p80 -81.86 -14.13 56.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 71.120000000000005 109.601 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 55.240000000000002 110.972 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.61 HG12 ' H ' ' A' ' 2' ' ' PHE . 2.7 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.352 -0.61 . . . . 74.420000000000002 109.352 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.61 ' H ' HG12 ' A' ' 1' ' ' VAL . 0.1 OUTLIER -87.15 40.09 0.9 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 62.009999999999998 111.033 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.51 ' C ' ' CD2' ' A' ' 3' ' ' HIS . 0.4 OUTLIER -177.0 -38.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 73.540000000000006 109.562 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.71 -36.56 43.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.138 . . . . 64.329999999999998 109.274 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 44.39 -169.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 73.450000000000003 111.016 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.9 m 39.46 87.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 72.5 109.955 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.718 ' HB3' HH21 ' A' ' 8' ' ' ARG . . . -61.23 -34.52 75.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 52.149999999999999 109.322 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.718 HH21 ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -62.37 -13.68 31.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 72.040000000000006 110.267 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.403 ' O ' ' CG ' ' A' ' 13' ' ' ASN . . . -101.83 -37.97 3.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.096 . . . . 60.210000000000001 111.03 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.51 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -68.75 -49.99 59.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 71.329999999999998 109.297 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.51 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 2.2 ptm180 -59.33 -40.3 85.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 72.129999999999995 110.27 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 8' ' ' ARG . 1.2 m-80 -59.21 -22.17 60.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 62.520000000000003 109.265 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 9' ' ' GLY . 3.3 m120 -90.17 -17.62 27.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 73.140000000000001 109.264 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.614 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -80.99 -44.15 18.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 74.319999999999993 111.046 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.504 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.87 -18.55 13.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 72.030000000000001 109.295 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.45 -51.64 16.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 71.310000000000002 109.996 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.513 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.96 -13.11 43.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.436 1.085 . . . . 73.450000000000003 109.297 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.537 HG21 ' HE1' ' A' ' 14' ' ' TYR . 3.1 t -77.72 -30.15 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 63.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.65 -57.47 18.6 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.498 1.124 . . . . 32.399999999999999 110.977 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.625 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.5 Cg_endo -74.97 -25.27 12.07 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 64.209999999999994 111.04 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -54.59 -23.8 18.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 61.130000000000003 109.293 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -73.87 -31.91 63.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 72.340000000000003 109.273 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.849 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -72.18 -52.23 17.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 73.420000000000002 107.991 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.849 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.63 -51.48 65.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 75.230000000000004 109.288 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.486 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.1 OUTLIER -64.34 -32.98 59.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 74.219999999999999 109.274 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 6.8 t -68.26 -37.44 80.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 61.210000000000001 110.013 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.56 -32.1 69.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 73.239999999999995 109.33 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.6 t -69.04 -52.76 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 64.420000000000002 109.265 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.589 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.85 -26.44 63.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 73.209999999999994 110.347 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.574 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -72.8 -36.19 58.03 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.556 1.16 . . . . 64.409999999999997 110.996 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.2 -27.94 42.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 0.776 . . . . 61.329999999999998 110.982 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.589 HG22 ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -56.95 -41.68 77.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 71.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.574 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.1 p80 -81.84 -14.1 56.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 55.420000000000002 109.641 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 64.209999999999994 111.031 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 23.0 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.324 -0.621 . . . . 71.140000000000001 109.324 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.476 ' O ' ' CD2' ' A' ' 2' ' ' PHE . 25.5 p90 -172.33 44.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 72.019999999999996 111.002 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.512 ' C ' ' CD2' ' A' ' 3' ' ' HIS . 0.2 OUTLIER -176.91 -38.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 72.310000000000002 109.592 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.58 -49.81 69.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 55.32 109.292 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 44.93 -170.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 65.25 110.993 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.6 m 44.42 93.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 70.439999999999998 110.03 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.716 ' HB3' ' NH2' ' A' ' 8' ' ' ARG . . . -59.23 -34.45 72.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 70.310000000000002 109.327 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.716 ' NH2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -65.76 -12.97 58.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 74.510000000000005 110.339 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.13 -30.18 4.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 63.399999999999999 110.962 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.506 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -68.79 -49.62 62.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 71.409999999999997 109.286 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.506 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 10.3 ptm180 -64.55 -41.12 96.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 1.164 . . . . 72.340000000000003 110.265 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.513 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 2.2 m-80 -61.64 -20.07 62.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 74.109999999999999 109.325 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.404 HD22 ' N ' ' A' ' 13' ' ' ASN . 1.2 m-80 -91.79 -12.48 33.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 64.230000000000004 109.322 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.605 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -81.37 -48.29 12.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 73.209999999999994 111.008 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.544 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -66.0 -16.14 63.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 52.219999999999999 109.33 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.401 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -69.54 -58.3 4.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 74.140000000000001 109.981 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.5 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -64.0 -13.14 44.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 64.200000000000003 109.292 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.0 t -77.57 -31.01 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 70.319999999999993 109.309 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.7 -57.59 17.08 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.521 1.138 . . . . 63.210000000000001 111.011 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.62 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.4 Cg_endo -74.98 -25.48 11.86 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 74.150000000000006 111.02 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.28 -24.76 12.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 70.310000000000002 109.317 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.7 OUTLIER -71.08 -34.34 71.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 74.25 109.342 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.82 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.7 OUTLIER -72.25 -51.07 22.62 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.011 -1.107 . . . . 64.530000000000001 108.011 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.82 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.65 -51.56 64.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 72.25 109.287 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.494 ' N ' HG12 ' A' ' 24' ' ' VAL . 1.8 tp -64.87 -33.3 62.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 61.520000000000003 109.32 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.496 ' HA ' ' CD ' ' A' ' 29' ' ' ARG . 3.7 m -67.7 -36.91 81.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 62.119999999999997 110.005 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.58 -32.02 69.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 62.520000000000003 109.277 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.5 t -69.12 -52.72 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 64.439999999999998 109.28 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.583 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.9 -26.46 63.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 73.310000000000002 110.299 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.579 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -72.8 -36.11 58.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.472 1.108 . . . . 75.230000000000004 111.016 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.19 -28.15 42.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 74.409999999999997 111.007 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.583 HG22 ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -56.75 -41.7 75.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 75.140000000000001 109.335 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.579 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.1 p80 -81.87 -14.17 56.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 61.229999999999997 109.548 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.11 . . . . 63.109999999999999 110.992 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.731 HG21 ' HB3' ' A' ' 4' ' ' ALA . 3.0 t . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.302 -0.629 . . . . 73.540000000000006 109.302 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.634 ' H ' HG12 ' A' ' 1' ' ' VAL . 0.3 OUTLIER -81.46 4.33 21.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 63.009999999999998 111.014 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.478 ' C ' ' CD2' ' A' ' 3' ' ' HIS . 1.3 t60 -176.93 -38.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 75.329999999999998 109.616 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.731 ' HB3' HG21 ' A' ' 1' ' ' VAL . . . -57.05 -21.87 34.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 45.340000000000003 109.319 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -61.05 158.6 13.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 73.319999999999993 110.962 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.1 m -133.25 91.89 2.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 62.299999999999997 110.021 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.767 ' HB3' HH21 ' A' ' 8' ' ' ARG . . . -59.59 -34.47 72.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 74.140000000000001 109.325 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.767 HH21 ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -65.22 -13.83 59.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 65.209999999999994 110.279 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.401 ' O ' ' ND2' ' A' ' 13' ' ' ASN . . . -106.41 -29.77 4.65 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.533 1.145 . . . . 65.140000000000001 110.996 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.495 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -68.83 -49.63 62.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 63.350000000000001 109.306 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.495 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 0.7 OUTLIER -66.86 -41.3 87.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 61.229999999999997 110.292 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.514 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 2.1 m-80 -61.67 -20.05 63.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 64.299999999999997 109.334 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' A' ' 9' ' ' GLY . 1.2 m-80 -91.58 -12.72 33.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 62.329999999999998 109.315 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.607 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -81.31 -48.25 12.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 74.340000000000003 111.011 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.538 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -66.07 -16.23 63.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 64.450000000000003 109.291 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.42 -42.68 61.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 75.409999999999997 109.993 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.505 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -77.81 -13.93 59.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 64.230000000000004 109.292 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.463 HG21 ' HE1' ' A' ' 14' ' ' TYR . 3.1 t -77.5 -30.97 17.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 72.140000000000001 109.282 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.86 -57.57 17.46 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.516 1.135 . . . . 63.0 110.951 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.616 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.4 Cg_endo -75.01 -25.4 11.88 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.514 1.797 . . . . 64.040000000000006 111.026 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.31 -24.84 12.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 62.229999999999997 109.301 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.2 t70 -71.1 -34.17 70.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 63.43 109.342 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.808 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.7 OUTLIER -72.24 -51.29 21.68 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.968 -1.123 . . . . 63.520000000000003 107.968 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.808 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.58 -51.67 62.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 74.209999999999994 109.313 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.493 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -64.87 -33.28 62.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.095 . . . . 62.240000000000002 109.333 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 6.8 t -67.73 -36.88 81.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 52.299999999999997 109.97 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.57 -32.11 69.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 72.230000000000004 109.276 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 24' ' ' VAL . 99.6 t -69.02 -52.75 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 61.140000000000001 109.306 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.589 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.92 -26.44 63.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 74.019999999999996 110.325 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.576 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -72.76 -36.24 58.14 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 74.409999999999997 110.958 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.1 -28.16 42.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 70.329999999999998 111.013 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.589 HG22 ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -56.87 -41.69 76.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 64.340000000000003 109.294 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.576 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.0 p80 -81.78 -14.14 56.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 74.5 109.599 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.515 1.135 . . . . 73.219999999999999 110.987 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.577 HG11 HG21 ' A' ' 10' ' ' VAL . 31.0 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.309 -0.626 . . . . 60.32 109.309 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.439 ' CD2' ' O ' ' A' ' 1' ' ' VAL . 29.3 m-85 -164.39 47.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 72.329999999999998 111.029 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.414 ' CD2' ' C ' ' A' ' 3' ' ' HIS . 0.8 OUTLIER -176.92 -38.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 63.439999999999998 109.599 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.17 -39.25 78.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 51.119999999999997 109.279 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 52.66 -172.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 73.230000000000004 111.039 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 m 45.14 94.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 53.219999999999999 110.013 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.7 ' HB3' ' NH2' ' A' ' 8' ' ' ARG . . . -59.07 -34.48 72.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 73.120000000000005 109.354 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.7 ' NH2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -66.56 -14.2 62.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 64.129999999999995 110.275 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.71 -31.08 4.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.519 1.137 . . . . 71.25 111.016 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.577 HG21 HG11 ' A' ' 1' ' ' VAL . 0.5 OUTLIER -67.19 -49.8 69.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.524 0.779 . . . . 42.140000000000001 109.286 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.501 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 1.6 ptm180 -66.52 -40.91 89.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 72.019999999999996 110.317 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.473 ' O ' ' CE ' ' A' ' 15' ' ' LYS . 1.7 m-80 -59.6 -21.67 60.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 63.509999999999998 109.32 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -90.63 -16.47 28.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 64.439999999999998 109.293 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.6 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -80.98 -44.22 18.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 71.109999999999999 110.977 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.492 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.81 -19.02 14.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 74.200000000000003 109.317 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.58 -50.8 19.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 72.299999999999997 109.982 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.503 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -64.01 -13.23 45.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 73.129999999999995 109.277 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.496 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.1 t -77.56 -30.37 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 64.109999999999999 109.305 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.51 -57.66 17.6 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.474 1.109 . . . . 64.239999999999995 111.009 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.625 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.3 Cg_endo -75.0 -24.82 12.45 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.566 1.824 . . . . 51.039999999999999 111.005 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.491 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.96 -25.0 18.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 53.43 109.308 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.97 -32.49 67.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 75.530000000000001 109.292 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.862 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -72.48 -51.98 17.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 73.530000000000001 107.989 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.984 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -56.62 -52.93 47.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 74.140000000000001 109.282 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.524 ' N ' HG12 ' A' ' 24' ' ' VAL . 3.2 tp -60.27 -34.59 57.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 74.299999999999997 109.337 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.422 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 6.9 t -66.01 -44.14 85.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 64.549999999999997 110.026 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.69 -30.07 66.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 65.439999999999998 109.329 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.984 HG23 ' O ' ' A' ' 24' ' ' VAL . 90.6 t -62.6 -51.52 71.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 71.340000000000003 109.348 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.581 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.66 -26.83 63.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 73.129999999999995 110.296 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.561 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -75.15 -34.7 51.17 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.473 1.108 . . . . 74.209999999999994 111.032 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.81 -26.98 44.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 72.200000000000003 111.04 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.581 HG22 ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -57.19 -41.62 78.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 64.140000000000001 109.345 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.561 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 32.0 p80 -82.97 -13.67 55.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 71.319999999999993 109.601 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 15.42 111.003 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.464 HG12 ' H ' ' A' ' 2' ' ' PHE . 2.2 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.309 -0.626 . . . . 74.430000000000007 109.309 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.464 ' H ' HG12 ' A' ' 1' ' ' VAL . 44.8 m-85 -153.23 52.14 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 73.430000000000007 110.966 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.419 ' C ' ' CD2' ' A' ' 3' ' ' HIS . 2.3 t60 -176.9 -38.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 74.239999999999995 109.551 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.58 -23.42 65.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 65.209999999999994 109.294 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -67.65 170.97 6.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 74.25 110.976 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.4 m -89.95 94.51 9.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 75.109999999999999 109.978 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.685 ' HB3' ' NH2' ' A' ' 8' ' ' ARG . . . -59.25 -34.5 72.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 71.129999999999995 109.29 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.685 ' NH2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -65.08 -13.8 58.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 73.439999999999998 110.338 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.54 -33.31 3.91 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 64.5 111.03 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.503 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -66.51 -49.79 72.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 64.530000000000001 109.278 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.503 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 8.7 ptm180 -65.2 -40.87 94.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 71.040000000000006 110.305 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 8' ' ' ARG . 1.6 m-80 -59.6 -21.7 60.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 75.120000000000005 109.273 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.404 ' N ' HD22 ' A' ' 13' ' ' ASN . 1.2 m-80 -90.54 -16.33 29.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 73.439999999999998 109.355 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.601 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -80.94 -44.04 18.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 64.329999999999998 111.017 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.491 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.22 -18.82 17.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 75.519999999999996 109.32 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.57 -50.79 19.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 73.230000000000004 110.009 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.509 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.94 -13.28 44.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 55.240000000000002 109.339 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.467 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.1 t -77.53 -30.27 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 53.329999999999998 109.282 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.6 -57.67 17.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.458 1.099 . . . . 63.210000000000001 110.989 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.63 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.4 Cg_endo -75.0 -24.78 12.5 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.45 1.763 . . . . 71.120000000000005 111.016 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -54.03 -25.03 19.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.077 . . . . 53.350000000000001 109.285 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -71.91 -32.52 67.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 64.439999999999998 109.296 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.864 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -72.48 -51.96 17.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 73.010000000000005 108.018 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.988 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -56.6 -52.91 47.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 74.200000000000003 109.304 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.506 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -60.32 -34.6 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 73.329999999999998 109.29 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.438 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 6.8 t -66.0 -44.11 85.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 31.25 110.036 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.75 -30.03 66.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 51.219999999999999 109.309 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.988 HG23 ' O ' ' A' ' 24' ' ' VAL . 89.3 t -62.57 -51.56 70.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 63.310000000000002 109.318 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.588 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.68 -26.8 63.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 72.109999999999999 110.306 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.554 ' O ' ' CD2' ' A' ' 33' ' ' HIS . . . -75.22 -34.59 51.08 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 73.430000000000007 110.964 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.86 -26.92 44.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 64.239999999999995 110.98 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.588 HG22 ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -57.18 -41.64 78.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 75.109999999999999 109.299 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.554 ' CD2' ' O ' ' A' ' 30' ' ' GLY . 31.9 p80 -83.0 -13.75 55.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 74.129999999999995 109.565 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.458 1.099 . . . . 63.219999999999999 111.033 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.6 HG23 ' CE1' ' A' ' 5' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.334 -0.617 . . . . 71.329999999999998 109.334 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.544 ' CG ' ' O ' ' A' ' 1' ' ' VAL . 95.7 m-85 -164.23 51.33 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 72.5 110.981 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.454 ' HA ' HG23 ' A' ' 10' ' ' VAL . 3.3 t60 -176.95 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 64.420000000000002 109.57 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.82 -15.84 45.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 44.32 109.297 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.6 ' CE1' HG23 ' A' ' 1' ' ' VAL . 0.2 OUTLIER -170.41 -149.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 63.119999999999997 111.019 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.581 ' N ' ' CG ' ' A' ' 5' ' ' TYR . 75.0 m 39.68 90.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 73.310000000000002 110.004 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.745 ' HB3' ' NH2' ' A' ' 8' ' ' ARG . . . -58.89 -34.64 71.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.162 . . . . 63.25 109.324 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.745 ' NH2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -63.24 -14.17 46.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 73.5 110.266 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.58 -36.17 3.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.438 1.086 . . . . 65.239999999999995 110.988 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.499 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -68.88 -49.64 61.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 74.25 109.244 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.499 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 7.6 ptm180 -59.25 -40.45 85.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 73.340000000000003 110.301 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 8' ' ' ARG . 1.4 m-80 -59.45 -21.96 60.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.1 . . . . 64.349999999999994 109.251 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -90.29 -17.14 27.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 74.109999999999999 109.27 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.616 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -81.06 -44.32 18.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 75.420000000000002 111.034 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.505 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.99 -19.01 15.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 73.420000000000002 109.32 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -73.48 -51.05 18.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 62.210000000000001 110.009 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.496 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.97 -13.24 44.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 73.519999999999996 109.329 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.489 HG21 ' HE1' ' A' ' 14' ' ' TYR . 3.1 t -77.51 -30.31 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 75.340000000000003 109.312 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.64 -57.64 17.81 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.525 1.141 . . . . 52.020000000000003 110.975 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.632 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.2 Cg_endo -75.03 -24.83 12.39 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.522 1.801 . . . . 54.539999999999999 110.984 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.491 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.93 -25.1 18.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 64.019999999999996 109.343 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -71.9 -32.53 67.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 72.239999999999995 109.278 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.863 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -72.44 -52.0 17.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 72.409999999999997 107.986 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 1.004 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -56.59 -52.98 46.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 73.049999999999997 109.29 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.522 ' N ' HG12 ' A' ' 24' ' ' VAL . 1.0 OUTLIER -60.27 -34.56 57.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 61.420000000000002 109.302 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.42 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 7.6 t -66.11 -43.98 85.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 74.140000000000001 109.976 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.8 -30.02 66.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 55.450000000000003 109.295 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 1.004 HG23 ' O ' ' A' ' 24' ' ' VAL . 92.2 t -62.68 -51.5 71.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 51.32 109.271 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.578 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.66 -26.77 63.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 63.219999999999999 110.275 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.565 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -75.28 -34.66 50.59 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.515 1.134 . . . . 65.209999999999994 110.986 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.89 -26.96 43.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 0.783 . . . . 74.319999999999993 110.981 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.578 HG22 ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -57.26 -41.66 78.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 74.409999999999997 109.296 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.565 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 32.0 p80 -82.8 -13.78 55.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 75.310000000000002 109.627 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.516 1.135 . . . . 51.109999999999999 110.992 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.302 -0.629 . . . . 70.129999999999995 109.302 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -157.08 38.97 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 64.519999999999996 110.972 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.434 ' C ' ' CD2' ' A' ' 3' ' ' HIS . 1.8 t60 -176.94 -38.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 74.120000000000005 109.565 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.76 -28.85 66.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 71.120000000000005 109.286 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.87 170.42 1.53 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 64.129999999999995 110.986 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.2 m 39.41 87.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 52.210000000000001 109.984 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.737 ' HB3' HH21 ' A' ' 8' ' ' ARG . . . -60.97 -34.68 75.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 70.219999999999999 109.253 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.737 HH21 ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -62.31 -13.54 29.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 70.450000000000003 110.295 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.93 -37.96 3.27 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.501 1.126 . . . . 64.239999999999995 110.988 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.512 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -68.78 -50.02 58.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 0.792 . . . . 73.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.512 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 6.6 ptm180 -58.95 -40.49 84.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 74.319999999999993 110.304 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 8' ' ' ARG . 1.2 m-80 -59.35 -22.0 60.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 73.450000000000003 109.283 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -90.27 -17.29 27.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 71.329999999999998 109.285 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.6 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -81.05 -44.06 18.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 72.040000000000006 110.967 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.478 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -56.74 -18.94 14.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 71.329999999999998 109.299 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.49 -51.09 18.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 54.539999999999999 110.038 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.508 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.98 -13.23 44.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 70.040000000000006 109.287 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.504 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.1 t -77.51 -30.37 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 73.450000000000003 109.291 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.55 -57.68 17.56 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 43.43 110.979 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.625 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.2 Cg_endo -74.96 -24.79 12.57 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.452 1.764 . . . . 72.510000000000005 111.02 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -54.09 -24.98 19.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 73.349999999999994 109.258 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -72.01 -32.46 67.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.095 . . . . 53.340000000000003 109.278 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.859 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -72.45 -52.0 17.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 73.030000000000001 107.996 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.981 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -56.52 -53.05 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 74.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.508 ' N ' HG12 ' A' ' 24' ' ' VAL . 1.2 tp -60.22 -34.54 57.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 65.219999999999999 109.312 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.436 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 7.2 t -66.15 -44.09 85.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 64.150000000000006 109.977 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.71 -30.08 66.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 72.209999999999994 109.305 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.981 HG23 ' O ' ' A' ' 24' ' ' VAL . 88.3 t -62.56 -51.59 70.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 70.109999999999999 109.299 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.588 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.68 -26.75 63.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 74.340000000000003 110.318 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.563 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -75.24 -34.53 51.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.519 1.137 . . . . 42.039999999999999 111.024 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.82 -26.94 44.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.781 . . . . 73.340000000000003 111.058 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.588 HG22 ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -57.21 -41.63 78.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 51.399999999999999 109.304 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.563 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.8 p80 -82.95 -13.73 55.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 74.340000000000003 109.632 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.497 1.123 . . . . 44.329999999999998 110.985 -179.942 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.744 ' CG2' ' HB3' ' A' ' 4' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.32 -0.622 . . . . 74.349999999999994 109.32 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -86.68 42.5 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 75.420000000000002 111.024 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -174.12 -44.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 72.209999999999994 109.577 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.744 ' HB3' ' CG2' ' A' ' 1' ' ' VAL . . . -78.82 -34.79 44.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 71.439999999999998 109.32 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 47.52 -175.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 72.040000000000006 110.989 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 m 41.84 91.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 73.120000000000005 109.991 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.662 ' HB3' ' NH2' ' A' ' 8' ' ' ARG . . . -58.82 -35.59 73.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 65.310000000000002 109.288 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.662 ' NH2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -64.19 -14.35 54.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 73.340000000000003 110.278 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.37 -33.83 4.09 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.494 1.121 . . . . 61.509999999999998 110.988 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.502 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -66.81 -49.77 71.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 0.782 . . . . 71.349999999999994 109.265 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.502 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 6.4 ptm180 -65.1 -40.85 95.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 75.239999999999995 110.299 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 8' ' ' ARG . 1.5 m-80 -59.68 -21.64 60.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 74.340000000000003 109.251 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -90.65 -16.35 28.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 70.439999999999998 109.298 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.602 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -80.96 -44.1 18.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 74.420000000000002 110.984 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.485 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.12 -18.85 16.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 73.219999999999999 109.277 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.48 -51.07 18.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 51.210000000000001 109.976 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.503 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -64.01 -13.24 45.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.158 . . . . 73.200000000000003 109.301 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.499 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.1 t -77.51 -30.3 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 73.129999999999995 109.31 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.59 -57.7 17.48 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 43.350000000000001 110.953 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.621 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.3 Cg_endo -74.96 -24.82 12.55 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.477 1.778 . . . . 73.329999999999998 111.011 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -54.0 -24.97 18.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 24.43 109.307 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.99 -32.53 67.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 74.5 109.293 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.866 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -72.39 -51.99 17.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 73.409999999999997 108.048 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.99 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -56.59 -52.98 46.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 74.299999999999997 109.254 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.522 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -60.31 -34.52 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 61.299999999999997 109.307 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.424 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 6.2 t -66.14 -44.06 85.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 72.420000000000002 110.006 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.72 -30.09 66.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 71.439999999999998 109.279 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.99 HG23 ' O ' ' A' ' 24' ' ' VAL . 91.2 t -62.58 -51.55 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 73.430000000000007 109.339 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.58 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.58 -26.89 63.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 72.200000000000003 110.272 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.56 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -75.21 -34.66 50.95 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.467 1.104 . . . . 72.439999999999998 110.983 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.82 -26.94 44.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 64.409999999999997 111.015 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.58 HG22 ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -57.23 -41.67 78.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 75.209999999999994 109.287 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.56 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 32.0 p80 -82.89 -13.72 55.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 72.420000000000002 109.598 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.448 1.092 . . . . 72.439999999999998 111.018 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.752 HG23 ' N ' ' A' ' 2' ' ' PHE . 3.0 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.334 -0.617 . . . . 65.439999999999998 109.334 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.752 ' N ' HG23 ' A' ' 1' ' ' VAL . 2.0 t80 72.72 19.4 3.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 64.420000000000002 110.977 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.474 ' C ' ' CD2' ' A' ' 3' ' ' HIS . 0.2 OUTLIER -146.53 -46.82 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 74.299999999999997 109.591 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.74 -19.7 65.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 53.200000000000003 109.313 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.491 ' C ' ' CD1' ' A' ' 5' ' ' TYR . 0.1 OUTLIER -74.8 -175.85 2.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 73.230000000000004 111.032 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.4 m -145.05 94.79 2.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 74.439999999999998 109.978 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.629 ' HB3' ' NH2' ' A' ' 8' ' ' ARG . . . -60.55 -34.43 74.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 64.349999999999994 109.309 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.629 ' NH2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -65.18 -13.65 58.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 71.140000000000001 110.318 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.65 -33.38 4.16 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.462 1.101 . . . . 74.409999999999997 110.978 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.51 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -67.08 -49.78 70.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 62.149999999999999 109.343 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.51 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 7.1 ptm180 -65.1 -40.89 95.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 72.329999999999998 110.29 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 8' ' ' ARG . 1.5 m-80 -59.59 -21.7 60.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 64.430000000000007 109.319 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.435 ' N ' HD22 ' A' ' 13' ' ' ASN . 1.2 m-80 -90.58 -16.42 28.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 73.25 109.316 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.61 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -81.0 -44.25 18.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 73.420000000000002 110.993 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.492 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.18 -18.8 17.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 71.209999999999994 109.316 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.51 -50.9 19.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 70.099999999999994 109.973 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.495 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -64.0 -13.24 45.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 52.229999999999997 109.266 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.472 HG21 ' HE1' ' A' ' 14' ' ' TYR . 3.1 t -77.54 -30.31 16.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 45.539999999999999 109.3 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.59 -57.62 17.88 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.527 1.142 . . . . 45.43 111.002 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.624 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.2 Cg_endo -75.03 -24.84 12.39 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.46 1.768 . . . . 53.409999999999997 110.957 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.98 -25.05 18.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 72.129999999999995 109.323 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.91 -32.53 67.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 52.219999999999999 109.321 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.856 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -72.44 -52.01 17.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 62.530000000000001 107.987 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 1.009 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -56.55 -52.94 47.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 71.209999999999994 109.343 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.509 ' N ' HG12 ' A' ' 24' ' ' VAL . 1.2 tp -60.34 -34.55 58.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 61.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.439 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 6.6 t -66.13 -43.97 85.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 74.019999999999996 110.001 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.79 -30.04 66.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 72.010000000000005 109.288 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 1.009 HG23 ' O ' ' A' ' 24' ' ' VAL . 92.4 t -62.67 -51.51 71.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 73.030000000000001 109.278 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.585 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.64 -26.8 63.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 65.140000000000001 110.308 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.553 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -75.23 -34.75 50.63 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.507 1.129 . . . . 45.210000000000001 110.954 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.87 -26.97 44.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 0.794 . . . . 74.239999999999995 110.994 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.585 HG22 ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -57.21 -41.65 78.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 74.329999999999998 109.285 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.553 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 32.1 p80 -82.85 -13.81 55.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 72.239999999999995 109.591 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.464 1.102 . . . . 72.120000000000005 111.037 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.496 HG23 ' CE1' ' A' ' 5' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.295 -0.632 . . . . 61.32 109.295 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 175.14 38.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 75.349999999999994 110.986 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -176.93 -38.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 72.239999999999995 109.642 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.6 -17.27 54.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 70.049999999999997 109.272 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.496 ' CE1' HG23 ' A' ' 1' ' ' VAL . 4.6 p90 -150.58 157.95 43.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 72.219999999999999 111.001 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.8 m -130.13 95.26 3.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 72.230000000000004 109.976 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.721 ' HB3' ' NH2' ' A' ' 8' ' ' ARG . . . -59.31 -34.36 72.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 70.230000000000004 109.316 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.721 ' NH2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -65.84 -12.82 57.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 53.100000000000001 110.289 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.43 -28.61 4.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.511 1.132 . . . . 61.210000000000001 110.987 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.506 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -68.77 -49.69 61.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 0.736 . . . . 75.549999999999997 109.318 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.506 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 0.7 OUTLIER -66.28 -41.17 90.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 73.239999999999995 110.317 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.519 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 2.3 m-80 -61.69 -20.03 63.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 74.510000000000005 109.295 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -91.91 -12.44 33.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 65.129999999999995 109.313 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.597 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -81.32 -48.34 12.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 63.350000000000001 110.971 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.541 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -66.01 -16.09 63.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 62.310000000000002 109.331 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.414 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 20.0 t -72.17 -58.38 3.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 73.239999999999995 110.017 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.509 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.96 -13.19 44.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 44.439999999999998 109.308 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.42 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.0 t -77.54 -31.01 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 75.140000000000001 109.286 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.83 -57.52 17.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.466 1.104 . . . . 71.120000000000005 111.011 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.618 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.3 Cg_endo -75.04 -25.45 11.78 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.513 1.796 . . . . 60.25 110.98 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -53.26 -24.78 12.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 70.319999999999993 109.306 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.4 OUTLIER -71.19 -34.25 70.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 74.209999999999994 109.297 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.829 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.6 OUTLIER -72.29 -51.13 22.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 73.120000000000005 107.978 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.829 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 0.4 OUTLIER -56.66 -51.66 63.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 55.439999999999998 109.335 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.493 ' N ' HG12 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -64.85 -33.31 62.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 71.129999999999995 109.299 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 6.6 t -67.74 -36.78 81.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 62.5 109.976 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.61 -32.12 69.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 44.450000000000003 109.292 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 24' ' ' VAL . 98.4 t -69.05 -52.75 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 61.140000000000001 109.283 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.578 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.88 -26.49 63.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 74.299999999999997 110.33 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.573 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -72.77 -36.14 58.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.547 1.154 . . . . 72.430000000000007 110.999 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.19 -28.06 42.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 0.746 . . . . 71.140000000000001 110.985 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.578 HG22 ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -56.87 -41.72 76.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 75.540000000000006 109.282 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.573 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.0 p80 -81.83 -14.15 56.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 72.120000000000005 109.62 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.53 1.144 . . . . 55.5 111.008 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 20.8 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.287 -0.634 . . . . 63.439999999999998 109.287 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.488 ' O ' ' CD2' ' A' ' 2' ' ' PHE . 8.2 p90 -167.95 39.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 73.409999999999997 111.016 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.467 ' C ' ' CD2' ' A' ' 3' ' ' HIS . 0.4 OUTLIER -176.87 -38.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 63.439999999999998 109.58 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.49 -50.98 14.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 54.32 109.324 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 49.25 -170.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 73.129999999999995 111.001 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 m 43.04 92.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 53.409999999999997 110.059 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.697 ' HB3' ' NH2' ' A' ' 8' ' ' ARG . . . -60.02 -34.46 73.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 71.409999999999997 109.291 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.697 ' NH2' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -65.76 -13.81 60.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 53.439999999999998 110.288 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.89 -31.44 4.17 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 31.309999999999999 110.988 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.504 ' CG1' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -67.06 -49.84 69.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 75.420000000000002 109.303 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.504 ' N ' ' CG1' ' A' ' 10' ' ' VAL . 1.3 ptt180 -66.98 -41.01 87.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 74.510000000000005 110.29 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 8' ' ' ARG . 1.7 m-80 -59.49 -21.77 60.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 54.399999999999999 109.314 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.462 ' N ' HD22 ' A' ' 13' ' ' ASN . 1.1 m-80 -90.56 -16.43 28.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 74.430000000000007 109.306 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.598 ' C ' ' CD1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -80.94 -44.08 18.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 75.140000000000001 110.994 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.491 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -57.09 -18.86 16.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 75.239999999999995 109.328 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.48 -51.09 18.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 75.200000000000003 110.051 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.51 ' C ' ' HD2' ' A' ' 20' ' ' PRO . . . -63.98 -13.16 44.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.103 . . . . 45.420000000000002 109.312 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.509 HG21 ' CE1' ' A' ' 14' ' ' TYR . 3.2 t -77.61 -29.93 16.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 71.239999999999995 109.34 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.95 -57.47 18.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.568 1.168 . . . . 63.43 111.021 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.627 ' O ' ' CD1' ' A' ' 23' ' ' TRP . 18.4 Cg_endo -74.92 -25.06 12.4 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.465 1.771 . . . . 60.520000000000003 111.049 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.484 ' HB2' ' O ' ' A' ' 17' ' ' ALA . . . -54.97 -23.87 21.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 54.210000000000001 109.288 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.2 -30.97 62.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 55.549999999999997 109.289 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.862 ' CZ2' HG23 ' A' ' 24' ' ' VAL . 0.4 OUTLIER -72.44 -52.5 15.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 74.540000000000006 107.977 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.997 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -56.54 -52.8 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 75.5 109.283 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.51 ' N ' HG12 ' A' ' 24' ' ' VAL . 1.5 tt -60.07 -34.43 56.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 73.209999999999994 109.297 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.43 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 6.4 t -66.47 -44.18 83.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 74.510000000000005 110.022 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.7 -30.04 66.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 54.240000000000002 109.291 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.997 HG23 ' O ' ' A' ' 24' ' ' VAL . 90.0 t -62.51 -51.64 69.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 63.350000000000001 109.313 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.587 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -70.69 -26.78 63.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 74.209999999999994 110.305 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.564 ' HA2' ' CD2' ' A' ' 33' ' ' HIS . . . -75.21 -34.56 51.2 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.458 1.099 . . . . 63.039999999999999 111.012 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.87 -26.93 43.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.771 . . . . 74.230000000000004 111.013 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.587 HG22 ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -57.17 -41.65 78.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.177 . . . . 62.25 109.313 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.564 ' CD2' ' HA2' ' A' ' 30' ' ' GLY . 31.9 p80 -82.98 -13.68 55.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 75.409999999999997 109.627 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 75.109999999999999 111.016 179.976 . . . . . . . . 0 0 . 1 stop_ save_