data_2ekf_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 2ekf _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.5 mm? . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.406 ' O ' ' CG ' ' A' ' 18' ' ' GLN . . . -53.7 -57.21 11.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.0 m -47.94 -37.8 15.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 110.37 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.437 ' C ' ' N ' ' A' ' 18' ' ' GLN . 58.8 mt -74.36 -64.75 0.96 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.495 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . . . -39.99 -30.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.437 ' N ' ' C ' ' A' ' 16' ' ' LEU . 3.1 mm100 -62.35 -60.45 3.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 22' ' ' GLU . 1.0 OUTLIER -56.49 -68.17 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.495 ' CG2' ' HA ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -40.1 -42.77 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 23.4 tptt -68.87 -48.97 62.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -46.33 -37.22 7.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.1 t -81.68 -41.58 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.441 ' O ' ' CG1' ' A' ' 27' ' ' VAL . 0.9 OUTLIER -128.73 90.42 46.22 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -33.99 4.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.527 1.804 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -47.82 -59.86 3.01 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.481 1.113 . . . . 0.0 109.544 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.441 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 2.5 p -50.15 143.03 13.23 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.413 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.93 161.49 38.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.0 mt -79.1 -37.93 37.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.05 -48.05 59.16 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.462 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.4 p -69.41 -47.24 73.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.474 0.749 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.462 ' N ' ' CG1' ' A' ' 31' ' ' VAL . 23.0 mt -49.64 -58.59 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -43.77 -42.42 5.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.327 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -74.45 -51.85 13.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.253 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -49.11 -38.06 23.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.4 mt -63.38 -45.41 91.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.04 -32.74 72.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -22.32 63.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.6 p -139.68 -90.55 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 110.419 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.83 42.21 0.27 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.599 1.187 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.2 m -155.84 117.29 3.94 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.9 m -44.41 -53.61 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -50.96 -53.09 36.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.163 . . . . 0.0 109.357 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 mp -49.38 -59.99 3.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.365 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.45 HG23 ' CG1' ' A' ' 20' ' ' VAL . 1.1 m -38.74 -58.9 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.395 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.52 -60.9 1.02 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.1 m -47.2 -43.6 21.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.466 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.433 ' C ' ' N ' ' A' ' 18' ' ' GLN . 77.0 mt -67.7 -68.82 0.36 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.488 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . . . -40.1 -30.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.433 ' N ' ' C ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -64.13 -57.1 10.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.272 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -60.71 -67.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.488 ' CG2' ' HA ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -39.79 -37.15 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.43 1.081 . . . . 0.0 109.349 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 19.4 tptt -74.6 -49.85 20.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -45.64 -42.69 11.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.275 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.3 t -78.72 -45.93 24.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.097 . . . . 0.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.49 ' O ' ' CG1' ' A' ' 27' ' ' VAL . 1.1 mt -117.9 90.31 36.39 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -43.5 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.413 1.744 . . . . 0.0 111.028 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -41.06 -63.86 0.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.423 1.077 . . . . 0.0 109.536 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.49 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 2.5 p -43.29 143.05 1.49 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.245 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 155.48 42.53 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.427 1.751 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.2 mt -79.1 -24.82 43.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -66.99 -42.51 92.61 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.4 p -73.9 -47.34 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.456 ' N ' ' CG1' ' A' ' 31' ' ' VAL . 23.8 mt -48.86 -46.06 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -53.82 -29.19 39.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 110.268 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.18 -49.47 7.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -49.17 -43.76 42.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 40' ' ' GLY . 79.1 mt -58.97 -39.03 80.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.09 -23.06 66.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.48 -43.59 48.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.572 1.17 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 40' ' ' GLY . 49.5 p -118.59 -70.06 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.397 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.442 ' N ' ' OG1' ' A' ' 39' ' ' THR . . . 102.47 18.06 17.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.489 1.118 . . . . 0.0 110.948 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -127.41 111.91 14.39 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.6 m -42.52 -53.27 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -53.85 -58.3 7.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.098 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -46.22 -57.46 4.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 51.7 m -38.78 -56.47 1.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.415 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 109.338 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.14 -60.98 2.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.6 m -43.62 -39.18 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.376 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.439 ' C ' ' N ' ' A' ' 18' ' ' GLN . 61.5 mt -74.66 -60.44 2.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.486 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . . . -40.12 -30.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.439 ' N ' ' C ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -63.62 -58.26 7.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 22' ' ' GLU . 2.4 mpt_? -59.46 -68.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.486 ' CG2' ' HA ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -39.8 -36.99 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.51 1.131 . . . . 0.0 109.398 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 17.9 tptt -75.54 -50.53 15.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -41.39 -45.58 3.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.9 t -76.22 -45.32 35.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -119.55 90.11 42.21 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.399 1.062 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -37.55 2.01 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.44 1.758 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.437 ' CD2' ' H ' ' A' ' 27' ' ' VAL . 3.4 p-80 -44.57 -70.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.642 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.437 ' H ' ' CD2' ' A' ' 26' ' ' HIS . 2.5 p -41.44 142.99 0.9 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.351 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.412 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 18.2 Cg_endo -75.04 164.49 33.19 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.524 1.802 . . . . 0.0 110.974 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.5 mt -81.64 -39.07 24.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.69 -46.67 66.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.424 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 0.8 OUTLIER -70.33 -44.52 77.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 0.733 . . . . 0.0 109.271 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.424 ' N ' ' CG1' ' A' ' 31' ' ' VAL . 16.1 mt -53.07 -55.6 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -54.19 -45.15 72.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.71 -38.13 88.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -65.28 -50.04 67.24 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.117 . . . . 0.0 109.257 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' GLY . 10.4 mt -48.74 -39.1 23.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.44 -39.86 64.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.72 -27.11 26.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.8 p -142.31 -84.59 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.173 . . . . 0.0 110.437 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 119.34 39.8 0.66 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.536 1.147 . . . . 0.0 111.068 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -153.12 120.79 6.0 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 45' ' ' THR . 29.7 m -50.28 -54.2 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.242 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -47.33 -35.02 7.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.5 mp -81.11 -32.72 33.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 42' ' ' VAL . 18.5 m -72.98 -61.11 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.389 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.431 ' N ' ' O ' ' A' ' 42' ' ' VAL . 6.2 tp . . . . . 0 C--N 1.324 -0.538 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.14 -58.49 6.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.2 m -52.79 -30.07 31.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.454 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.441 ' C ' ' N ' ' A' ' 18' ' ' GLN . 65.8 mt -74.1 -67.16 0.64 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.492 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -40.0 -30.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.441 ' N ' ' C ' ' A' ' 16' ' ' LEU . 24.4 mt-30 -61.7 -62.2 1.97 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -55.0 -68.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.478 ' CG2' ' HA ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -40.52 -37.59 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 28.2 tptt -72.23 -49.08 37.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 19' ' ' ARG . 6.1 mm-40 -50.62 -25.12 3.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.257 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.0 t -96.11 -42.07 11.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.56 1.162 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.8 90.31 40.12 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -44.81 0.32 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.463 1.77 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -42.72 -69.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.597 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.6 p -46.07 142.81 3.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 162.76 36.72 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.505 1.792 . . . . 0.0 110.972 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.1 mt -77.34 -43.53 32.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.352 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -47.28 -54.51 10.05 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.554 1.159 . . . . 0.0 111.031 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.462 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.4 p -63.15 -47.61 91.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.794 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.462 ' N ' ' CG1' ' A' ' 31' ' ' VAL . 21.6 mt -44.45 -52.61 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -53.12 -48.41 67.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.92 -45.32 95.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -58.69 -28.96 66.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mt -72.98 -48.36 37.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.11 -31.04 40.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -32.2 61.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.347 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.3 p -135.92 -84.51 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.44 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.89 42.18 0.27 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.415 1.072 . . . . 0.0 111.019 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -160.32 120.14 2.83 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.5 m -49.29 -54.94 4.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -48.44 -33.17 8.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.4 mp -81.28 -52.65 7.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 109.259 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.5 m -55.77 -57.83 10.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.406 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.903 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.17 -59.89 4.14 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.8 m -48.3 -35.16 11.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.41 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.442 ' C ' ' N ' ' A' ' 18' ' ' GLN . 21.6 mt -65.42 -62.34 1.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -40.2 -29.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.442 ' N ' ' C ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -61.6 -62.14 2.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.7 OUTLIER -54.92 -68.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.276 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.493 ' CG2' ' HA ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -40.4 -39.28 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.561 1.163 . . . . 0.0 109.347 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -71.38 -49.74 39.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.9 OUTLIER -42.63 -32.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.593 1.183 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.1 t -86.72 -44.08 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.453 ' O ' ' CG1' ' A' ' 27' ' ' VAL . 0.9 OUTLIER -124.73 90.24 51.24 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -36.33 2.57 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 0.0 110.928 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.437 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.7 p80 -49.3 -63.31 1.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.66 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.453 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 2.5 p -43.54 143.05 1.63 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.578 1.174 . . . . 0.0 109.255 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.47 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 18.1 Cg_endo -75.03 171.63 17.95 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.506 1.793 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.9 mt -90.01 -44.55 9.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.69 -23.72 7.05 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 0.8 OUTLIER -93.44 -44.28 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 109.322 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.47 ' CD1' ' O ' ' A' ' 28' ' ' PRO . 17.3 mt -53.17 -50.58 45.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -57.73 -58.66 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -36.63 68.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.46 -40.38 89.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 40' ' ' GLY . 22.3 mt -62.82 -36.31 82.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.86 -27.88 68.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -66.83 -36.2 81.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.372 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.3 p -125.6 -77.41 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 114.32 21.61 5.47 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.2 m -128.39 103.99 7.46 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.437 ' CG1' HG12 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -41.37 -41.61 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -59.12 5.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 mp -43.92 -53.47 6.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.242 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.3 m -42.32 -59.89 1.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 110.364 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.942 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 33' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.81 -55.05 2.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.402 ' O ' ' CB ' ' A' ' 18' ' ' GLN . 98.9 m -58.79 -64.33 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.153 . . . . 0.0 110.459 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 19' ' ' ARG . 66.9 mt -45.61 -64.67 0.68 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.485 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . . . -39.94 -37.04 0.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.402 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -62.08 -51.15 69.1 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.414 1.071 . . . . 0.0 110.337 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.8 OUTLIER -66.21 -68.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.338 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.485 ' CG2' ' HA ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -39.93 -41.3 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.578 1.174 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 19.5 tptt -71.26 -48.22 52.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.087 . . . . 0.0 109.385 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.7 OUTLIER -47.74 -41.7 23.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.7 t -74.22 -40.66 50.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 21' ' ' LYS . 13.1 mt -132.54 90.64 32.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -23.31 13.91 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.448 1.762 . . . . 0.0 111.038 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -54.73 -61.89 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.549 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.5 p -50.89 143.02 15.94 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.484 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 18.0 Cg_endo -75.11 165.5 31.03 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.471 1.774 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.7 mt -81.76 -41.59 20.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -49.42 -44.15 35.85 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.4 p -73.93 -47.62 42.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.466 0.744 . . . . 0.0 109.263 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 28' ' ' PRO . 14.7 mt -52.11 -50.48 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.25 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.467 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 37.5 mt-30 -50.95 -39.82 55.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -42.77 37.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.09 -35.24 69.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.414 HD11 ' CB ' ' A' ' 16' ' ' LEU . 39.7 mt -64.36 -51.49 63.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.345 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.4 -22.61 54.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.64 -32.72 74.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.9 p -139.23 -76.75 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.397 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.52 35.16 1.21 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.569 1.168 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.3 m -146.14 109.15 4.61 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.9 m -40.71 -54.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -45.05 -46.06 11.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 41' ' ' CYS . 4.1 mp -65.8 -51.74 56.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.0 m -46.3 -49.29 17.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 110.375 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.356 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.61 -46.62 77.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 39.0 m -63.98 -12.37 37.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.431 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.46 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 76.1 mt -92.48 -65.09 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.521 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . . . -48.3 -36.45 14.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -62.6 -38.38 89.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -78.59 -68.39 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.311 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.521 ' CG2' ' HA ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -40.47 -40.07 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.606 1.191 . . . . 0.0 109.367 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.477 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 34.7 tptt -67.71 -49.18 64.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.241 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -53.73 -45.87 70.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.2 t -70.91 -37.54 68.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.3 mt -134.58 90.6 23.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -31.47 6.21 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.438 1.757 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -47.27 -67.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.587 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.43 ' CG2' HG13 ' A' ' 32' ' ' ILE . 2.5 p -45.81 142.93 3.45 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.382 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 158.65 42.37 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.432 1.754 . . . . 0.0 110.968 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.8 mt -73.82 -40.38 63.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -48.74 -55.39 11.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.549 1.156 . . . . 0.0 111.05 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.48 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 2.0 p -65.55 -49.42 78.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.477 0.751 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.48 ' N ' ' CG1' ' A' ' 31' ' ' VAL . 41.6 mt -44.02 -46.36 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -56.26 -45.0 80.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -58.12 3.79 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.519 1.137 . . . . 0.0 110.238 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.3 -27.7 1.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 40' ' ' GLY . 13.4 mt -73.77 -55.41 6.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.51 -29.15 15.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.358 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -44.08 91.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.2 p -119.74 -70.71 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.369 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 110.95 12.97 14.58 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.12 . . . . 0.0 111.079 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -127.16 112.24 14.92 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.9 m -41.23 -54.48 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.23 -54.45 10.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.534 1.147 . . . . 0.0 109.275 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.8 mp -53.93 -45.02 71.12 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.462 1.102 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 49.6 m -56.42 -51.54 67.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 110.351 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.957 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.447 ' CD2' HD12 ' A' ' 36' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.03 -58.16 3.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.8 m -51.4 -40.54 59.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.406 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.439 HD22 ' CG1' ' A' ' 42' ' ' VAL . 60.0 mt -68.42 -63.48 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.506 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . . . -40.48 -29.96 0.1 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.436 ' N ' ' C ' ' A' ' 16' ' ' LEU . 0.9 OUTLIER -62.31 -74.22 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -43.57 -66.69 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.506 ' CG2' ' HA ' ' A' ' 17' ' ' ALA . 2.0 m -40.19 -42.59 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.404 ' NZ ' ' O ' ' A' ' 25' ' ' PRO . 0.2 OUTLIER -69.97 -46.61 64.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 109.272 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -49.65 -37.66 29.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.7 t -82.0 -32.58 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.557 ' HB3' ' CE1' ' A' ' 26' ' ' HIS . 0.7 OUTLIER -135.15 87.27 29.17 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.404 ' O ' ' NZ ' ' A' ' 21' ' ' LYS . 17.9 Cg_endo -75.03 -25.71 11.56 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.538 1.809 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.557 ' CE1' ' HB3' ' A' ' 24' ' ' LEU . 4.5 p80 -58.5 -57.24 13.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.636 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 2.6 p -49.45 142.8 10.93 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.451 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 18.1 Cg_endo -75.08 161.62 38.25 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.463 1.77 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.3 mt -81.47 -31.08 33.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.83 -45.82 95.73 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.453 1.095 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.445 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.4 p -67.81 -47.35 79.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.386 0.698 . . . . 0.0 109.361 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.451 ' CD1' ' O ' ' A' ' 28' ' ' PRO . 52.3 mt -52.43 -57.74 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -38.93 -31.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.411 ' N ' ' C ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -89.51 -54.69 3.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 110.307 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.92 -29.09 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.447 HD12 ' CD2' ' A' ' 13' ' ' LEU . 32.6 mt -70.69 -54.32 12.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.237 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.7 -21.25 10.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.098 . . . . 0.0 109.213 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -55.11 31.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.411 1.069 . . . . 0.0 109.374 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.4 p -118.1 -70.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.405 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.89 28.84 3.51 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.2 m -133.85 110.87 10.05 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.439 ' CG1' HD22 ' A' ' 16' ' ' LEU . 10.0 m -42.91 -49.93 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.99 -43.45 73.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 41' ' ' CYS . 8.1 mp -64.94 -50.47 66.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.356 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.0 m -41.89 -51.67 4.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.264 -179.919 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.6 -61.29 1.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.5 m -39.16 -57.19 1.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.413 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 17' ' ' ALA . 47.0 mt -55.36 -54.87 38.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.495 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -39.94 -35.05 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.231 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -61.93 -54.71 38.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 22' ' ' GLU . 3.7 mtt-85 -62.29 -68.22 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 110.265 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.481 ' CG2' ' HA ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -40.11 -42.39 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 4.0 tptm -65.51 -49.78 67.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 19' ' ' ARG . 1.7 tm-20 -48.19 -45.1 33.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.3 t -67.68 -44.24 86.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.492 ' O ' ' CG1' ' A' ' 27' ' ' VAL . 12.2 mt -132.78 91.92 28.14 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -23.23 13.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.417 1.746 . . . . 0.0 110.977 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -58.97 -59.72 5.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.579 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.492 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 2.5 p -45.37 143.09 2.88 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.486 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.95 167.43 27.07 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.544 1.812 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 43.5 mt -82.03 -48.56 11.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -44.37 -43.73 7.66 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.468 1.105 . . . . 0.0 111.07 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 0.8 OUTLIER -74.52 -48.63 34.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.552 0.795 . . . . 0.0 109.286 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.486 ' CD1' ' O ' ' A' ' 28' ' ' PRO . 26.8 mt -48.54 -57.92 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -41.68 -50.02 4.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.31 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -58.75 3.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.43 1.081 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -40.61 -39.84 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.268 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 40' ' ' GLY . 41.4 mt -56.39 -60.79 3.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.19 -39.24 69.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.246 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.53 -50.06 7.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.0 p -110.74 -72.08 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.366 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 113.42 31.54 2.36 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 0.0 111.05 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -153.82 110.81 3.41 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.461 ' HA ' ' CG1' ' A' ' 20' ' ' VAL . 12.2 m -40.74 -50.39 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -56.0 -57.15 13.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 mp -48.91 -49.3 40.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.5 m -49.54 -57.28 7.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.4 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.1 -58.13 3.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.1 m -48.93 -38.2 22.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.442 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.415 ' C ' ' N ' ' A' ' 18' ' ' GLN . 77.3 mt -71.25 -62.88 1.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.494 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -40.0 -32.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.415 ' N ' ' C ' ' A' ' 16' ' ' LEU . 7.2 mt-30 -61.73 -58.73 6.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -57.72 -68.03 0.28 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.473 ' CG2' ' HA ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -40.77 -41.14 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 7.0 tptt -70.68 -46.0 63.99 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' ARG . 6.1 tt0 -56.78 -44.0 81.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.9 t -74.87 -38.68 44.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.354 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.413 HD22 ' NE2' ' A' ' 26' ' ' HIS . 14.2 mt -132.67 90.75 31.94 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -40.8 0.8 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.413 ' NE2' HD22 ' A' ' 24' ' ' LEU . 1.6 p-80 -39.87 -67.6 0.22 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.557 1.161 . . . . 0.0 109.663 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.7 p -44.11 142.73 2.06 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.229 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.431 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 18.3 Cg_endo -75.0 170.02 21.34 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.468 1.773 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.3 mt -84.81 -45.58 12.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -46.67 -38.75 10.02 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.418 1.074 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.444 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.2 p -79.1 -46.3 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 109.239 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.444 ' N ' ' CG1' ' A' ' 31' ' ' VAL . 40.3 mt -49.17 -58.14 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -48.73 -47.27 41.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.274 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.94 -58.24 6.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 38' ' ' LYS . 6.9 t70 -45.6 -54.68 7.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 40' ' ' GLY . 19.0 mt -44.44 -53.57 6.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -40.74 -35.22 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 35' ' ' ASP . 3.7 mmmm -65.06 -53.59 43.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 36' ' ' LEU . 76.0 p -95.37 -74.46 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.444 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 89.41 35.83 7.79 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -160.06 111.02 1.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.495 ' O ' ' CB ' ' A' ' 43' ' ' ASP . 26.9 m -40.46 155.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 42' ' ' VAL . 2.3 t70 81.5 -53.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.1 -34.78 68.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.357 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.5 m -69.56 -50.88 40.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.598 1.186 . . . . 0.0 110.431 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.3 mp . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 179.94 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.09 -60.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.387 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.9 m -48.17 -46.71 34.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.389 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.461 HD21 ' CG1' ' A' ' 42' ' ' VAL . 90.9 mt -63.82 -66.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.49 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . . . -39.62 -39.86 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -60.58 -50.37 73.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 16' ' ' LEU . 54.5 mtt-85 -66.49 -68.28 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.49 ' CG2' ' HA ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -40.08 -38.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.467 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 7.9 tptt -67.95 -52.89 30.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.365 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -42.77 -45.69 4.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.326 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.6 t -69.22 -48.63 67.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.356 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.412 ' O ' ' CG1' ' A' ' 27' ' ' VAL . 11.5 mt -123.73 90.78 50.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.363 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -21.4 16.04 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 110.995 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -62.09 -57.96 9.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.603 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.412 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 7.1 p -47.6 141.44 7.2 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.432 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.92 163.31 35.71 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.479 1.778 . . . . 0.0 111.021 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 80.4 mt -79.28 -40.92 29.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.52 -44.16 45.96 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.459 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.2 p -75.44 -47.27 35.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.462 0.742 . . . . 0.0 109.255 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.459 ' N ' ' CG1' ' A' ' 31' ' ' VAL . 41.7 mt -49.97 -45.25 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -56.93 -46.89 81.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.33 -56.87 7.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -45.41 -43.91 11.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.4 HD13 ' CB ' ' A' ' 16' ' ' LEU . 14.5 mt -52.25 -58.74 5.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 109.243 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.21 -40.89 78.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.231 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.38 -30.4 1.32 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.6 p -134.16 -98.71 0.26 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.52 1.138 . . . . 0.0 110.454 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 137.82 44.83 0.08 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.112 . . . . 0.0 111.04 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -161.16 114.27 1.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.461 ' CG1' HD21 ' A' ' 16' ' ' LEU . 12.2 m -41.31 -50.38 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.12 -53.03 56.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.2 mp -51.16 -54.09 28.58 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.0 m -43.1 -56.85 3.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 110.463 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.896 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.45 ' CD2' ' HA ' ' A' ' 33' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.58 -60.48 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.8 m -51.32 -57.97 7.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.429 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.427 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 66.9 mt -47.68 -65.83 0.5 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.489 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . . . -39.83 -37.9 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.92 -52.64 64.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.588 1.18 . . . . 0.0 110.289 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 22' ' ' GLU . 15.9 mmt-85 -63.98 -68.33 0.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.344 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.489 ' CG2' ' HA ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -40.17 -39.56 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.52 1.138 . . . . 0.0 109.36 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 29.0 tptt -67.8 -49.94 59.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.087 . . . . 0.0 109.273 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 19' ' ' ARG . 13.2 mm-40 -45.69 -47.17 15.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.353 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.8 t -69.52 -46.96 74.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.85 90.66 50.04 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -41.22 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.505 1.792 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -41.18 -62.81 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.646 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 2.9 p -49.62 142.65 11.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.421 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.98 163.04 36.16 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.447 1.762 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 23.7 mt -79.48 -39.66 31.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.355 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.27 -47.41 42.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.54 1.15 . . . . 0.0 111.058 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.7 p -71.95 -48.97 47.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.48 0.753 . . . . 0.0 109.367 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.483 ' N ' ' CG1' ' A' ' 31' ' ' VAL . 14.6 mt -45.51 -51.03 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.45 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 65.2 mt-30 -45.5 -62.02 1.45 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 110.279 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -40.44 91.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.242 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -57.65 -36.78 72.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 65.2 mt -66.0 -24.48 66.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.3 -32.56 49.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.62 -45.88 90.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.2 p -102.74 -80.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.386 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.79 23.35 6.23 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.523 1.14 . . . . 0.0 111.038 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -150.52 111.51 4.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.3 m -41.2 -51.58 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -53.99 -54.03 44.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.356 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 tp -54.6 -50.46 68.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.235 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 90.4 m -42.94 -57.33 2.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.346 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.939 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.89 -62.06 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.0 m -52.01 -29.06 19.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.418 1.074 . . . . 0.0 110.354 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.461 HD23 ' CG1' ' A' ' 42' ' ' VAL . 28.9 mt -76.22 -64.52 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.514 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . . . -40.24 -29.97 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.434 ' N ' ' C ' ' A' ' 16' ' ' LEU . 23.8 mt-30 -61.79 -74.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.289 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 20' ' ' VAL . 3.9 mtt85 -41.16 -66.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.514 ' CG2' ' HA ' ' A' ' 17' ' ' ALA . 0.9 OUTLIER -39.49 -68.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 109.284 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.405 ' NZ ' ' O ' ' A' ' 27' ' ' VAL . 22.8 tptt -47.9 -43.2 28.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -52.25 -43.91 64.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.443 1.09 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.6 t -77.5 -41.37 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.35 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.4 mt -130.26 91.8 37.68 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.24 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -33.21 4.76 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.498 1.788 . . . . 0.0 110.977 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -42.45 -58.28 2.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.593 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.405 ' O ' ' NZ ' ' A' ' 21' ' ' LYS . 3.6 p -56.36 142.37 68.63 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.44 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.96 161.05 39.51 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.803 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.8 mt -79.2 -35.3 41.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.413 1.071 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.79 -49.48 70.36 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.559 1.162 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.3 p -64.82 -46.25 92.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.441 ' N ' ' CG1' ' A' ' 31' ' ' VAL . 40.6 mt -53.44 -57.95 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -41.51 -38.36 1.29 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.334 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.86 -50.77 9.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.248 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.62 -28.33 20.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.0 mt -63.88 -53.63 47.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.33 -32.4 68.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -36.32 61.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.4 p -134.81 -78.55 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.429 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.32 33.08 1.52 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -141.68 108.11 5.3 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.461 ' CG1' HD23 ' A' ' 16' ' ' LEU . 18.2 m -40.78 -56.49 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -45.89 -48.36 16.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.2 mp -58.8 -56.54 20.85 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.45 1.093 . . . . 0.0 109.316 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.0 m -43.68 -57.16 3.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.456 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.093 . . . . 0.0 109.309 179.91 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.26 -55.63 29.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.4 m -46.67 -35.79 6.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.342 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.442 ' C ' ' N ' ' A' ' 18' ' ' GLN . 51.5 mt -72.12 -63.9 1.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.483 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . . . -40.12 -30.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.442 ' N ' ' C ' ' A' ' 16' ' ' LEU . 41.5 mm-40 -66.14 -53.72 34.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -64.78 -67.14 0.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.428 1.08 . . . . 0.0 110.301 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.483 ' CG2' ' HA ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -39.86 -37.19 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 5.4 tptm -77.71 -53.12 7.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.38 -42.4 10.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 110.322 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.8 t -77.23 -43.82 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.443 ' O ' ' CG1' ' A' ' 27' ' ' VAL . 3.8 mt -115.69 90.42 26.46 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.459 1.1 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -14.91 21.03 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.418 1.746 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.455 ' O ' ' CD2' ' A' ' 26' ' ' HIS . 42.5 p-80 -94.0 70.62 3.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 109.662 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.443 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 2.5 p -176.93 142.95 0.54 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.448 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.97 157.28 42.97 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.516 1.798 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 81.1 mt -80.45 -37.88 31.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.13 -43.11 83.51 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.467 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.1 p -74.35 -47.36 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 0.789 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.467 ' N ' ' CG1' ' A' ' 31' ' ' VAL . 15.4 mt -49.39 -51.11 15.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 109.214 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -48.06 -56.68 7.16 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.53 1.143 . . . . 0.0 110.349 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.92 -42.05 97.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.7 -31.64 66.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.0 mt -69.71 -53.74 17.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.28 -25.96 60.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -25.25 50.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 p -138.64 -70.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 0.0 110.34 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.82 28.87 2.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.444 1.09 . . . . 0.0 111.018 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -153.44 123.17 6.79 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.4 m -50.94 -53.46 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 109.264 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -53.76 -21.76 7.96 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mp -89.93 -32.32 16.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.9 m -73.67 -45.82 50.22 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.3 tt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 -179.936 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.05 -64.79 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.439 ' O ' ' CB ' ' A' ' 18' ' ' GLN . 79.5 m -40.3 -63.73 0.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.349 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.469 ' CD2' HG11 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -44.26 -71.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 109.326 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -39.91 -35.58 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.439 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -61.99 -56.36 19.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -59.3 -66.51 0.5 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 1.175 . . . . 0.0 110.322 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.486 ' CG2' ' HA ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -42.81 -43.03 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 9.3 tptt -69.49 -40.82 76.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 19' ' ' ARG . 5.0 tp10 -64.69 -47.1 79.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 110.355 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.1 t -62.45 -35.04 67.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 mt -130.66 86.96 51.17 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.455 1.097 . . . . 0.0 109.395 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 52.05 2.92 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.506 1.793 . . . . 0.0 111.083 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -139.74 -59.74 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.631 1.207 . . . . 0.0 109.56 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.458 ' CG2' HG13 ' A' ' 32' ' ' ILE . 2.5 p -50.92 143.03 16.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.498 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 18.3 Cg_endo -75.01 162.08 37.7 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.509 1.794 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.8 mt -80.9 -41.64 22.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.36 -40.68 38.75 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.0 OUTLIER -79.3 -46.36 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.563 0.802 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' A' ' 28' ' ' PRO . 40.1 mt -53.94 -56.16 10.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -47.06 -51.45 17.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 110.261 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -65.67 -59.39 3.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.81 -41.12 6.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 40' ' ' GLY . 27.9 mt -53.32 -41.64 65.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' ARG . . . -59.95 -17.69 39.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.98 -45.65 11.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.5 p -99.37 -71.13 0.71 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.411 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 93.28 10.49 59.45 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.5 t -134.12 118.47 17.74 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.469 HG11 ' CD2' ' A' ' 16' ' ' LEU . 7.3 m -47.04 -49.01 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -50.35 -65.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.77 -53.81 14.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 61.8 m -42.21 -58.34 2.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.367 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.961 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.447 ' CD2' HD11 ' A' ' 36' ' ' LEU . 4.9 mt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.71 -62.87 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.3 m -39.68 -36.46 0.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 110.411 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.426 ' C ' ' N ' ' A' ' 18' ' ' GLN . 71.0 mt -73.58 -61.24 1.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.492 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . . . -40.14 -31.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.426 ' N ' ' C ' ' A' ' 16' ' ' LEU . 2.7 mm-40 -64.93 -54.22 34.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.422 1.077 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 22' ' ' GLU . 4.6 mtt-85 -63.36 -67.49 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.391 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.492 ' CG2' ' HA ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -39.76 -40.42 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.466 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 26.0 tptt -68.37 -50.87 50.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 19' ' ' ARG . 1.9 mm-40 -43.23 -41.15 3.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.591 1.182 . . . . 0.0 110.375 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.6 t -77.66 -43.24 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.476 ' O ' ' CG1' ' A' ' 27' ' ' VAL . 2.5 mt -123.34 90.48 50.45 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.087 . . . . 0.0 109.235 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -44.23 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.469 1.773 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -42.9 -64.01 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.618 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 2.5 p -42.94 143.03 1.31 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 165.1 32.01 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.52 1.8 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.7 mt -85.27 -34.37 21.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.43 -31.82 67.25 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.576 1.172 . . . . 0.0 111.058 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.442 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.1 p -86.2 -46.11 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.751 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.442 ' N ' ' CG1' ' A' ' 31' ' ' VAL . 13.6 mt -50.57 -51.71 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -46.33 -47.34 18.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.207 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -47.23 39.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -51.7 -33.21 33.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.447 HD11 ' CD2' ' A' ' 13' ' ' LEU . 22.0 mt -61.8 -57.71 10.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.51 -23.66 41.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -20.11 66.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.587 1.179 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 p -138.7 -74.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.378 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.23 19.47 6.28 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 11.4 m -147.8 118.01 7.32 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.4 m -45.24 -55.89 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.09 -61.96 1.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -47.37 -55.16 9.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 61.0 m -42.92 -59.01 2.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.393 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.367 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.89 -56.08 5.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.4 m -60.41 -35.34 75.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.38 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 17' ' ' ALA . 62.1 mt -64.11 -61.89 1.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -39.95 -31.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 0.0 109.348 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.81 -64.08 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 0.0 110.257 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 22' ' ' GLU . 4.6 mtm180 -52.39 -68.34 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.481 ' CG2' ' HA ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -41.31 -39.89 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.423 1.077 . . . . 0.0 109.353 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 1.4 tptt -69.04 -47.2 65.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -52.9 -35.56 58.27 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.8 t -82.02 -41.42 18.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.421 ' O ' ' CG1' ' A' ' 27' ' ' VAL . 0.3 OUTLIER -128.1 90.47 47.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -46.23 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.527 1.804 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -40.85 -66.54 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.545 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.421 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 2.5 p -41.21 143.03 0.83 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.123 . . . . 0.0 109.307 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.445 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 18.2 Cg_endo -75.02 171.18 18.82 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.435 1.755 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 72.9 mt -86.62 -47.84 8.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -45.19 -35.47 4.92 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.39 1.056 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.458 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.1 p -81.95 -46.9 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.565 0.803 . . . . 0.0 109.368 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.458 ' N ' ' CG1' ' A' ' 31' ' ' VAL . 24.0 mt -47.91 -56.65 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -41.81 -42.19 2.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.404 ' C ' ' N ' ' A' ' 36' ' ' LEU . 1.9 mtt-85 -77.54 -55.87 5.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -43.4 -28.5 0.35 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 40' ' ' GLY . 11.7 mt -70.45 -53.05 17.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.0 -28.32 51.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -42.76 89.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.353 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.7 p -114.78 -72.83 0.68 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.486 1.116 . . . . 0.0 110.381 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 113.51 18.82 6.87 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.418 1.074 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -150.04 115.44 5.48 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.7 m -40.71 -50.66 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.289 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.03 -57.35 9.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mp -55.02 -52.63 62.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.43 ' CG2' HG12 ' A' ' 20' ' ' VAL . 20.0 m -41.24 -53.12 3.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.162 . . . . 0.0 109.305 179.946 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.3 -64.28 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.0 m -42.94 -47.18 5.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.428 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 17' ' ' ALA . 67.1 mt -58.92 -62.9 1.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.502 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -39.72 -36.85 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.37 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -55.68 28.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.232 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 22' ' ' GLU . 6.3 mtt180 -60.06 -66.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.485 ' CG2' ' HA ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -42.43 -42.91 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 23.9 tptt -69.88 -41.62 74.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 19' ' ' ARG . 6.8 tt0 -60.16 -25.04 65.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.0 t -93.97 -37.47 8.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.423 1.077 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 26' ' ' HIS . 6.2 mt -130.48 91.12 38.96 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -35.22 3.34 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.532 1.806 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 24' ' ' LEU . 32.7 p-80 -49.48 -61.53 2.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.626 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.444 ' H ' ' CD2' ' A' ' 26' ' ' HIS . 2.5 p -48.79 143.06 8.54 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 162.11 37.65 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.481 1.779 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.3 mt -82.32 -37.06 26.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.361 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.66 -33.3 62.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.459 1.1 . . . . 0.0 110.964 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.413 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 0.6 OUTLIER -86.01 -44.51 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.739 . . . . 0.0 109.254 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.469 ' CG2' HG22 ' A' ' 20' ' ' VAL . 23.1 mt -50.02 -58.69 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -45.42 -64.23 0.77 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.143 . . . . 0.0 110.342 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -53.88 -46.36 71.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 110.293 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 38' ' ' LYS . 30.3 m-20 -55.3 -51.66 65.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 40' ' ' GLY . 17.3 mt -45.18 -34.89 2.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.99 -44.08 93.76 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.445 ' HA ' ' NZ ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -41.88 -41.04 2.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 109.259 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.5 p -123.08 -80.13 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.345 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 117.13 36.08 1.06 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.544 1.152 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.2 m -153.87 114.87 4.07 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.0 m -42.03 -54.94 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -49.67 -50.21 44.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.7 mp -53.97 -59.67 4.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.9 m -39.21 -56.39 1.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 0.0 109.261 -179.946 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.49 -63.86 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.5 m -40.13 -39.6 0.94 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.526 1.141 . . . . 0.0 110.433 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.463 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 45.1 mt -72.76 -52.34 15.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.498 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . . . -44.94 -26.61 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.423 ' N ' ' C ' ' A' ' 16' ' ' LEU . 8.8 tp60 -71.43 -44.45 64.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' LEU . 6.6 mtt180 -74.41 -65.92 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.498 ' CG2' ' HA ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -39.75 -37.08 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.61 -51.61 27.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 19' ' ' ARG . 2.0 mm-40 -44.17 -34.13 1.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 110.343 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.6 t -85.91 -38.21 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 109.337 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.503 ' O ' ' CG1' ' A' ' 27' ' ' VAL . 2.9 mt -126.9 90.19 50.19 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.42 1.075 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -36.47 2.55 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.499 1.789 . . . . 0.0 111.1 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -72.65 70.72 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.584 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 2.5 p -179.94 143.06 0.36 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.596 1.185 . . . . 0.0 109.36 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 165.36 31.44 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.57 1.826 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 23.4 mt -80.77 -45.36 17.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -46.61 -51.37 12.68 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.472 1.107 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.3 p -63.27 -47.43 92.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 0.793 . . . . 0.0 109.354 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.457 ' N ' ' CG1' ' A' ' 31' ' ' VAL . 25.4 mt -51.37 -63.62 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -42.44 -55.75 3.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.88 -50.91 65.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 110.312 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -53.23 -47.79 68.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 40' ' ' GLY . 73.7 mt -50.7 -46.91 59.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.75 -27.57 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.421 1.076 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.427 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -72.9 -59.74 2.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.8 p -101.06 -64.81 1.01 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.376 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 92.75 6.11 64.07 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.581 1.175 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -116.96 117.13 28.84 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.4 m -40.3 -49.33 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.95 -61.36 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.412 ' N ' HD11 ' A' ' 44' ' ' LEU . 6.4 mp -42.97 -56.59 3.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.0 m -39.7 -53.52 2.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.471 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.407 1.067 . . . . 0.0 109.263 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.94 -63.73 1.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.0 m -41.06 -39.19 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.448 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 19' ' ' ARG . 54.3 mt -66.57 -61.94 1.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.48 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . . . -40.09 -31.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.414 1.071 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.427 ' N ' ' C ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -65.7 -53.57 39.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.095 . . . . 0.0 110.304 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.7 OUTLIER -64.23 -67.42 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.48 ' CG2' ' HA ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -39.61 -43.38 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 23.3 tptt -67.82 -49.28 63.13 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -41.87 -44.83 3.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 110.333 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.1 t -76.34 -44.44 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.476 ' O ' ' CG1' ' A' ' 27' ' ' VAL . 2.1 mt -123.51 90.25 50.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -35.73 2.96 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.493 1.786 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.403 ' CE1' HD22 ' A' ' 24' ' ' LEU . 12.8 p-80 -47.7 -64.2 0.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.655 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 2.5 p -41.42 143.06 0.88 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.483 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 18.4 Cg_endo -75.01 161.21 39.09 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.5 1.789 . . . . 0.0 111.024 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.6 mt -80.81 -33.65 34.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.21 -45.08 94.54 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.466 1.104 . . . . 0.0 110.963 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.438 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.1 p -71.68 -46.06 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 0.737 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.483 ' CD1' ' O ' ' A' ' 28' ' ' PRO . 26.6 mt -51.88 -61.4 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -41.59 -38.95 1.47 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -55.71 5.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -48.36 -26.96 2.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.233 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.5 mt -65.52 -60.18 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.251 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.47 -25.46 51.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -31.77 69.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.2 p -136.46 -77.93 0.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.353 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.74 33.57 1.39 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -149.51 110.57 4.36 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.9 m -41.21 -55.63 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.082 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -44.64 -54.47 6.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.27 -51.95 66.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 97.7 m -45.87 -52.97 10.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.396 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.935 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.98 166.33 24.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 0.727 . . . . 0.0 110.045 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.8 p -136.85 146.39 45.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 109.95 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.93 -77.97 0.21 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.76 166.56 6.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 0.743 . . . . 0.0 109.944 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.2 p -45.57 -58.91 3.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.157 . . . . 0.0 109.997 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.46 103.91 0.26 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.36 84.43 23.13 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.468 0.746 . . . . 0.0 109.968 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 85.79 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.478 1.778 . . . . 0.0 111.021 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -156.36 125.34 6.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.361 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.2 t -129.43 36.65 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -72.52 170.32 14.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -53.0 -44.04 66.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.406 ' O ' ' CG ' ' A' ' 18' ' ' GLN . . . -53.7 -57.21 11.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.0 m -47.94 -37.8 15.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 110.37 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.437 ' C ' ' N ' ' A' ' 18' ' ' GLN . 58.8 mt -74.36 -64.75 0.96 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.495 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . . . -39.99 -30.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.437 ' N ' ' C ' ' A' ' 16' ' ' LEU . 3.1 mm100 -62.35 -60.45 3.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 22' ' ' GLU . 1.0 OUTLIER -56.49 -68.17 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.495 ' CG2' ' HA ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -40.1 -42.77 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 23.4 tptt -68.87 -48.97 62.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -46.33 -37.22 7.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.1 t -81.68 -41.58 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.441 ' O ' ' CG1' ' A' ' 27' ' ' VAL . 0.9 OUTLIER -128.73 90.42 46.22 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -33.99 4.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.527 1.804 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -47.82 -59.86 3.01 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.481 1.113 . . . . 0.0 109.544 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.441 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 2.5 p -50.15 143.03 13.23 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.413 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.93 161.49 38.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.0 mt -79.1 -37.93 37.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.05 -48.05 59.16 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.462 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.4 p -69.41 -47.24 73.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.474 0.749 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.462 ' N ' ' CG1' ' A' ' 31' ' ' VAL . 23.0 mt -49.64 -58.59 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -43.77 -42.42 5.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.327 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -74.45 -51.85 13.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.253 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -49.11 -38.06 23.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.4 mt -63.38 -45.41 91.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.04 -32.74 72.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.411 ' HD3' ' CG1' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -60.45 -22.32 63.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.6 p -139.68 -90.55 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 110.419 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.83 42.21 0.27 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.599 1.187 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.2 m -155.84 117.29 3.94 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.9 m -44.41 -53.61 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -50.96 -53.09 36.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.163 . . . . 0.0 109.357 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 mp -49.38 -59.99 3.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.365 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.45 HG23 ' CG1' ' A' ' 20' ' ' VAL . 1.1 m -38.74 -58.9 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.395 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mt -40.48 -62.39 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.6 m -52.89 -57.35 10.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.396 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -40.81 -51.58 3.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.2 mt -59.97 -48.49 81.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.58 -55.22 27.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -105.82 -95.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.21 -82.47 0.04 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.549 1.156 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 52.24 82.66 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 0.797 . . . . 0.0 109.275 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.411 ' CG1' ' HD3' ' A' ' 38' ' ' LYS . 73.7 t -135.5 130.48 50.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.529 1.143 . . . . 0.0 109.367 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -163.06 178.29 8.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 33.6 t80 51.22 175.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.2 ttt -176.77 142.33 0.54 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -179.26 4.83 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.569 1.826 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -132.02 155.79 47.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 110.274 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 176.84 119.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pp . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.276 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 t -68.23 90.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 110.005 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.22 167.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.74 -126.47 8.05 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.0 p 48.96 92.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 0.784 . . . . 0.0 109.985 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.3 m 64.28 132.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 109.954 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.63 -86.44 0.45 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.464 1.102 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.6 t -142.92 148.56 46.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 109.97 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 159.18 41.58 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.544 1.813 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -138.6 99.62 3.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.542 1.151 . . . . 0.0 109.239 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.8 t -119.72 36.24 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -75.63 161.35 29.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.07 -61.37 1.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.242 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.52 -60.9 1.02 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.1 m -47.2 -43.6 21.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.466 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.433 ' C ' ' N ' ' A' ' 18' ' ' GLN . 77.0 mt -67.7 -68.82 0.36 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.488 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . . . -40.1 -30.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.433 ' N ' ' C ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -64.13 -57.1 10.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.272 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -60.71 -67.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.488 ' CG2' ' HA ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -39.79 -37.15 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.43 1.081 . . . . 0.0 109.349 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 19.4 tptt -74.6 -49.85 20.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -45.64 -42.69 11.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.275 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.3 t -78.72 -45.93 24.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.097 . . . . 0.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.49 ' O ' ' CG1' ' A' ' 27' ' ' VAL . 1.1 mt -117.9 90.31 36.39 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -43.5 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.413 1.744 . . . . 0.0 111.028 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -41.06 -63.86 0.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.423 1.077 . . . . 0.0 109.536 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.49 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 2.5 p -43.29 143.05 1.49 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.245 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 155.48 42.53 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.427 1.751 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.2 mt -79.1 -24.82 43.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -66.99 -42.51 92.61 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.4 p -73.9 -47.34 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.456 ' N ' ' CG1' ' A' ' 31' ' ' VAL . 23.8 mt -48.86 -46.06 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -53.82 -29.19 39.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 110.268 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.18 -49.47 7.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -49.17 -43.76 42.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 40' ' ' GLY . 79.1 mt -58.97 -39.03 80.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.09 -23.06 66.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.48 -43.59 48.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.572 1.17 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 40' ' ' GLY . 49.5 p -118.59 -70.06 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.397 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.442 ' N ' ' OG1' ' A' ' 39' ' ' THR . . . 102.47 18.06 17.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.489 1.118 . . . . 0.0 110.948 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -127.41 111.91 14.39 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.6 m -42.52 -53.27 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -53.85 -58.3 7.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.098 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -46.22 -57.46 4.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 49' ' ' LEU . 51.7 m -38.78 -56.47 1.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.415 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mt -46.86 -49.79 6.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -67.41 -50.33 59.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.486 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -56.18 -25.26 46.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.232 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 45' ' ' THR . 8.5 mt -81.68 -57.23 3.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.69 -57.8 10.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.37 -90.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 142.5 63.91 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.396 1.06 . . . . 0.0 111.042 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.32 -100.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 80.5 t 65.56 125.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 69.61 77.68 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.495 ' O ' ' CD1' ' A' ' 56' ' ' PHE . 43.2 t80 -85.06 -5.95 59.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.444 1.09 . . . . 0.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.1 mtt 41.38 91.84 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 104.13 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.792 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 2.8 mm-40 -63.7 154.88 31.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.075 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 59' ' ' GLU . 21.0 t0 78.46 128.66 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.305 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.5 p -173.09 86.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.99 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 p -71.05 148.92 47.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.024 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.03 105.79 1.3 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.124 . . . . 0.0 111.082 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.1 p -123.09 92.27 3.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 0.747 . . . . 0.0 110.047 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.68 -65.76 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.036 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.45 116.06 0.67 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 m -116.82 150.25 45.46 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.44 0.729 . . . . 0.0 110.023 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 59.54 5.25 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.501 1.79 . . . . 0.0 110.985 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -115.46 100.03 7.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.5 t -129.53 39.85 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -82.52 2.2 34.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.386 1.054 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -43.3 -54.32 4.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.138 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.14 -60.98 2.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.6 m -43.62 -39.18 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.376 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.439 ' C ' ' N ' ' A' ' 18' ' ' GLN . 61.5 mt -74.66 -60.44 2.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.486 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . . . -40.12 -30.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.439 ' N ' ' C ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -63.62 -58.26 7.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 22' ' ' GLU . 2.4 mpt_? -59.46 -68.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.486 ' CG2' ' HA ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -39.8 -36.99 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.51 1.131 . . . . 0.0 109.398 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 17.9 tptt -75.54 -50.53 15.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -41.39 -45.58 3.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.9 t -76.22 -45.32 35.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -119.55 90.11 42.21 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.399 1.062 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -37.55 2.01 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.44 1.758 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.437 ' CD2' ' H ' ' A' ' 27' ' ' VAL . 3.4 p-80 -44.57 -70.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.642 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.437 ' H ' ' CD2' ' A' ' 26' ' ' HIS . 2.5 p -41.44 142.99 0.9 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.351 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.412 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 18.2 Cg_endo -75.04 164.49 33.19 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.524 1.802 . . . . 0.0 110.974 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.5 mt -81.64 -39.07 24.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.69 -46.67 66.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.424 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 0.8 OUTLIER -70.33 -44.52 77.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 0.733 . . . . 0.0 109.271 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.424 ' N ' ' CG1' ' A' ' 31' ' ' VAL . 16.1 mt -53.07 -55.6 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -54.19 -45.15 72.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.71 -38.13 88.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -65.28 -50.04 67.24 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.117 . . . . 0.0 109.257 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' GLY . 10.4 mt -48.74 -39.1 23.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.44 -39.86 64.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.72 -27.11 26.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.8 p -142.31 -84.59 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.173 . . . . 0.0 110.437 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 119.34 39.8 0.66 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.536 1.147 . . . . 0.0 111.068 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -153.12 120.79 6.0 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 45' ' ' THR . 29.7 m -50.28 -54.2 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.242 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -47.33 -35.02 7.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.5 mp -81.11 -32.72 33.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 42' ' ' VAL . 18.5 m -72.98 -61.11 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.389 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.431 ' N ' ' O ' ' A' ' 42' ' ' VAL . 6.2 tp -41.05 -42.78 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 51' ' ' GLU . 3.3 m -72.6 -53.69 11.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.393 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -49.78 -26.49 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.75 -46.85 74.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' A' ' 51' ' ' GLU . 2.8 tp -89.73 -66.79 0.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 47' ' ' THR . 0.2 OUTLIER -43.1 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.41 77.52 0.93 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -103.89 -100.43 0.3 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 0.751 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 63.6 t 65.23 136.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.351 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.49 158.86 27.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.479 ' O ' ' CD1' ' A' ' 56' ' ' PHE . 42.4 t80 -98.56 -6.31 30.34 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 42.68 91.19 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 111.041 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 176.82 9.39 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.454 1.765 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -109.48 154.77 22.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.41 99.6 3.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.1 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -114.24 152.83 30.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 0.803 . . . . 0.0 109.972 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 m 70.2 -69.65 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.589 1.181 . . . . 0.0 109.998 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.37 121.03 0.8 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t -102.54 -56.0 2.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 0.793 . . . . 0.0 109.961 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.75 114.87 4.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.961 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.35 -112.79 0.54 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.538 1.149 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.5 m -159.36 88.01 2.08 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.551 0.795 . . . . 0.0 109.975 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 124.91 9.0 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.456 1.766 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -159.4 133.43 7.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.348 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.9 t -142.66 40.96 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 13' ' ' LEU . 46.7 mm-40 -86.87 151.42 23.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.269 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' GLN . 0.3 OUTLIER -40.5 -49.62 2.91 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.467 1.105 . . . . 0.0 109.357 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.14 -58.49 6.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.2 m -52.79 -30.07 31.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.454 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.441 ' C ' ' N ' ' A' ' 18' ' ' GLN . 65.8 mt -74.1 -67.16 0.64 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.492 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -40.0 -30.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.441 ' N ' ' C ' ' A' ' 16' ' ' LEU . 24.4 mt-30 -61.7 -62.2 1.97 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -55.0 -68.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.478 ' CG2' ' HA ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -40.52 -37.59 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 28.2 tptt -72.23 -49.08 37.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 19' ' ' ARG . 6.1 mm-40 -50.62 -25.12 3.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.257 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.0 t -96.11 -42.07 11.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.56 1.162 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.451 ' CD1' HD13 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -118.8 90.31 40.12 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -44.81 0.32 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.463 1.77 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -42.72 -69.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.597 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.6 p -46.07 142.81 3.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 162.76 36.72 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.505 1.792 . . . . 0.0 110.972 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.1 mt -77.34 -43.53 32.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.352 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -47.28 -54.51 10.05 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.554 1.159 . . . . 0.0 111.031 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.462 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.4 p -63.15 -47.61 91.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.794 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.462 ' N ' ' CG1' ' A' ' 31' ' ' VAL . 21.6 mt -44.45 -52.61 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -53.12 -48.41 67.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.92 -45.32 95.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -58.69 -28.96 66.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mt -72.98 -48.36 37.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.11 -31.04 40.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -32.2 61.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.347 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.3 p -135.92 -84.51 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.44 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.89 42.18 0.27 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.415 1.072 . . . . 0.0 111.019 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -160.32 120.14 2.83 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.5 m -49.29 -54.94 4.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -48.44 -33.17 8.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.4 mp -81.28 -52.65 7.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 109.259 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.42 HG21 ' CD1' ' A' ' 49' ' ' LEU . 19.5 m -55.77 -57.83 10.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.406 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.1 tt -41.34 -39.74 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.8 m -77.37 -60.82 2.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -45.36 -28.01 0.78 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.451 HD13 ' CD1' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -55.87 -62.28 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 mt -86.48 -63.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.77 -78.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.331 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 133.16 118.7 1.95 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.493 1.12 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -171.24 81.89 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 0.771 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 71.6 t -134.96 128.09 49.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -137.55 123.09 19.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -66.58 143.22 57.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.9 115.6 60.63 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 172.09 17.03 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.459 1.768 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.38 156.37 45.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.329 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 178.42 117.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mm . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.132 . . . . 0.0 109.262 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m 62.44 98.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 0.0 109.999 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.2 t -90.94 109.85 21.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.105 . . . . 0.0 109.97 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.25 -161.61 0.7 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.411 1.07 . . . . 0.0 111.053 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -88.48 110.35 20.78 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 0.771 . . . . 0.0 109.972 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.1 t -164.74 -58.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.427 1.079 . . . . 0.0 109.974 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.43 67.08 0.42 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.22 94.74 32.23 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.544 0.791 . . . . 0.0 110.005 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 103.62 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.465 1.771 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.58 111.0 11.83 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.2 t -115.45 41.17 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -79.03 2.46 20.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.258 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -43.63 -43.04 5.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.17 -59.89 4.14 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.8 m -48.3 -35.16 11.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.41 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.442 ' C ' ' N ' ' A' ' 18' ' ' GLN . 21.6 mt -65.42 -62.34 1.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -40.2 -29.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.442 ' N ' ' C ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -61.6 -62.14 2.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.7 OUTLIER -54.92 -68.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.276 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.493 ' CG2' ' HA ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -40.4 -39.28 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.561 1.163 . . . . 0.0 109.347 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -71.38 -49.74 39.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.9 OUTLIER -42.63 -32.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.593 1.183 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.1 t -86.72 -44.08 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.453 ' O ' ' CG1' ' A' ' 27' ' ' VAL . 0.9 OUTLIER -124.73 90.24 51.24 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -36.33 2.57 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 0.0 110.928 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.437 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.7 p80 -49.3 -63.31 1.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.66 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.453 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 2.5 p -43.54 143.05 1.63 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.578 1.174 . . . . 0.0 109.255 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.47 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 18.1 Cg_endo -75.03 171.63 17.95 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.506 1.793 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.9 mt -90.01 -44.55 9.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.69 -23.72 7.05 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 0.8 OUTLIER -93.44 -44.28 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 109.322 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.47 ' CD1' ' O ' ' A' ' 28' ' ' PRO . 17.3 mt -53.17 -50.58 45.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -57.73 -58.66 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -36.63 68.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.46 -40.38 89.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 40' ' ' GLY . 22.3 mt -62.82 -36.31 82.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.86 -27.88 68.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.435 ' CE ' ' HB2' ' A' ' 55' ' ' ALA . 2.1 mmmm -66.83 -36.2 81.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.372 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.3 p -125.6 -77.41 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 114.32 21.61 5.47 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.2 m -128.39 103.99 7.46 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.437 ' CG1' HG12 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -41.37 -41.61 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -59.12 5.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 mp -43.92 -53.47 6.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.242 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.3 m -42.32 -59.89 1.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 110.364 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mt -40.41 -53.11 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 50' ' ' LEU . 1.5 m -67.16 -50.85 59.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.317 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -45.24 -49.7 12.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.417 ' CD1' HD13 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -49.16 -36.3 19.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 47' ' ' THR . 4.1 mt -86.4 -65.26 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.03 -89.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.234 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 128.96 51.84 0.12 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.464 1.103 . . . . 0.0 111.073 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.34 -100.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 0.737 . . . . 0.0 109.322 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.0 t 66.13 122.69 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.435 ' HB2' ' CE ' ' A' ' 38' ' ' LYS . . . -49.22 122.63 6.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.365 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.501 ' O ' ' CD1' ' A' ' 56' ' ' PHE . 44.4 t80 -74.65 -5.21 41.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.98 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.9 mtt 39.98 90.82 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 129.16 12.04 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.788 . . . . 0.0 110.991 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 4.7 tt0 -41.32 152.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 59' ' ' GLU . 23.8 t0 78.53 128.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 70.6 -63.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 110.0 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 m 62.52 147.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.013 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.52 92.69 1.74 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.0 p -98.36 111.9 24.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 0.814 . . . . 0.0 110.046 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.8 m 62.54 131.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.01 108.8 2.79 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 63.7 p -167.16 150.11 5.91 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.548 0.793 . . . . 0.0 110.017 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 79.96 2.55 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -177.57 139.75 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.0 t -94.05 37.09 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 58.07 164.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 33' ' ' GLN . 0.2 OUTLIER -87.26 -54.11 4.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.81 -55.05 2.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.402 ' O ' ' CB ' ' A' ' 18' ' ' GLN . 98.9 m -58.79 -64.33 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.153 . . . . 0.0 110.459 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 19' ' ' ARG . 66.9 mt -45.61 -64.67 0.68 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.485 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . . . -39.94 -37.04 0.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.402 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -62.08 -51.15 69.1 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.414 1.071 . . . . 0.0 110.337 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.8 OUTLIER -66.21 -68.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.338 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.485 ' CG2' ' HA ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -39.93 -41.3 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.578 1.174 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 19.5 tptt -71.26 -48.22 52.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.087 . . . . 0.0 109.385 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.7 OUTLIER -47.74 -41.7 23.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.7 t -74.22 -40.66 50.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 21' ' ' LYS . 13.1 mt -132.54 90.64 32.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -23.31 13.91 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.448 1.762 . . . . 0.0 111.038 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -54.73 -61.89 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.549 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.5 p -50.89 143.02 15.94 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.484 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 18.0 Cg_endo -75.11 165.5 31.03 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.471 1.774 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.7 mt -81.76 -41.59 20.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -49.42 -44.15 35.85 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.4 p -73.93 -47.62 42.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.466 0.744 . . . . 0.0 109.263 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 28' ' ' PRO . 14.7 mt -52.11 -50.48 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.25 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.467 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 37.5 mt-30 -50.95 -39.82 55.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -42.77 37.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.09 -35.24 69.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.414 HD11 ' CB ' ' A' ' 16' ' ' LEU . 39.7 mt -64.36 -51.49 63.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.345 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.4 -22.61 54.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.64 -32.72 74.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.9 p -139.23 -76.75 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.397 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.52 35.16 1.21 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.569 1.168 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.3 m -146.14 109.15 4.61 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.9 m -40.71 -54.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -45.05 -46.06 11.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 41' ' ' CYS . 4.1 mp -65.8 -51.74 56.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.0 m -46.3 -49.29 17.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 110.375 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mt -49.18 -53.78 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.356 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 m -65.64 -49.99 66.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.442 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -43.95 -39.59 4.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.093 . . . . 0.0 109.251 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.4 mt -64.69 -51.17 63.88 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -48.8 -67.21 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.142 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -92.77 -83.62 0.3 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -169.29 -77.67 0.04 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.489 1.118 . . . . 0.0 110.956 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 57.77 70.76 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.317 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 68.7 t -129.51 124.08 58.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.28 82.53 7.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -43.48 152.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.05 151.96 62.43 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 111.019 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 165.04 32.23 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.485 1.781 . . . . 0.0 111.064 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -102.54 167.03 10.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 45.4 t0 54.85 29.0 11.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 p -70.51 101.32 1.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.788 . . . . 0.0 109.969 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -106.49 165.45 11.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 110.02 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.97 -87.58 0.1 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.575 1.172 . . . . 0.0 110.97 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.9 p -157.63 79.99 0.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 0.723 . . . . 0.0 109.974 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.5 t -170.51 132.01 0.95 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 109.951 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.96 70.82 2.48 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.79 150.08 0.12 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.048 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 99.06 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 110.97 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -111.37 104.3 12.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 37.5 t -90.88 40.88 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -59.53 157.75 10.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -48.53 -40.66 27.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.233 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.61 -46.62 77.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 39.0 m -63.98 -12.37 37.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.431 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.46 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 76.1 mt -92.48 -65.09 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.521 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . . . -48.3 -36.45 14.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -62.6 -38.38 89.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -78.59 -68.39 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.311 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.521 ' CG2' ' HA ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -40.47 -40.07 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.606 1.191 . . . . 0.0 109.367 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.477 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 34.7 tptt -67.71 -49.18 64.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.241 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -53.73 -45.87 70.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.2 t -70.91 -37.54 68.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.419 HD11 ' CD1' ' A' ' 49' ' ' LEU . 11.3 mt -134.58 90.6 23.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -31.47 6.21 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.438 1.757 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -47.27 -67.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.587 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.43 ' CG2' HG13 ' A' ' 32' ' ' ILE . 2.5 p -45.81 142.93 3.45 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.382 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 158.65 42.37 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.432 1.754 . . . . 0.0 110.968 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.8 mt -73.82 -40.38 63.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -48.74 -55.39 11.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.549 1.156 . . . . 0.0 111.05 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.48 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 2.0 p -65.55 -49.42 78.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.477 0.751 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.48 ' N ' ' CG1' ' A' ' 31' ' ' VAL . 41.6 mt -44.02 -46.36 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -56.26 -45.0 80.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -58.12 3.79 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.519 1.137 . . . . 0.0 110.238 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.3 -27.7 1.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 40' ' ' GLY . 13.4 mt -73.77 -55.41 6.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.51 -29.15 15.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.358 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -44.08 91.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.2 p -119.74 -70.71 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.369 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 110.95 12.97 14.58 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.12 . . . . 0.0 111.079 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -127.16 112.24 14.92 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.9 m -41.23 -54.48 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.23 -54.45 10.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.534 1.147 . . . . 0.0 109.275 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.8 mp -53.93 -45.02 71.12 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.462 1.102 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 49.6 m -56.42 -51.54 67.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 110.351 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mt -41.18 -42.62 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 m -82.73 -48.7 10.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.39 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -46.17 -40.06 10.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.419 ' CD1' HD11 ' A' ' 24' ' ' LEU . 4.6 mt -52.85 -53.31 50.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.6 mt -76.66 -67.82 0.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.35 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.19 -85.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.345 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 158.34 -89.39 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 50.8 80.97 0.07 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.459 0.74 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.2 t -136.23 129.37 46.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -137.21 137.06 38.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -62.52 155.79 24.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.47 153.01 27.32 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 157.24 42.6 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.475 1.777 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.431 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 17.3 pt-20 -110.16 137.55 47.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.336 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 59' ' ' GLU . 6.1 t0 77.29 128.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.238 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.5 pt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 p -126.26 104.86 8.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.969 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 m -161.81 159.86 27.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.38 122.23 1.05 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.16 101.66 7.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 0.777 . . . . 0.0 110.003 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.0 t 61.74 140.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.02 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.23 93.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.437 1.086 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.6 p 178.33 150.26 0.42 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.483 0.755 . . . . 0.0 110.014 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -179.78 5.33 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t0 179.71 129.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.355 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.2 t -111.86 41.13 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -63.24 167.37 5.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.412 1.07 . . . . 0.0 110.219 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.447 ' CD2' HD12 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -51.96 -57.17 10.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.03 -58.16 3.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.8 m -51.4 -40.54 59.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.406 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.439 HD22 ' CG1' ' A' ' 42' ' ' VAL . 60.0 mt -68.42 -63.48 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.506 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . . . -40.48 -29.96 0.1 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.436 ' N ' ' C ' ' A' ' 16' ' ' LEU . 0.9 OUTLIER -62.31 -74.22 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -43.57 -66.69 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.506 ' CG2' ' HA ' ' A' ' 17' ' ' ALA . 2.0 m -40.19 -42.59 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.404 ' NZ ' ' O ' ' A' ' 25' ' ' PRO . 0.2 OUTLIER -69.97 -46.61 64.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 109.272 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -49.65 -37.66 29.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.7 t -82.0 -32.58 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.557 ' HB3' ' CE1' ' A' ' 26' ' ' HIS . 0.7 OUTLIER -135.15 87.27 29.17 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.404 ' O ' ' NZ ' ' A' ' 21' ' ' LYS . 17.9 Cg_endo -75.03 -25.71 11.56 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.538 1.809 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.557 ' CE1' ' HB3' ' A' ' 24' ' ' LEU . 4.5 p80 -58.5 -57.24 13.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.636 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 2.6 p -49.45 142.8 10.93 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.451 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 18.1 Cg_endo -75.08 161.62 38.25 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.463 1.77 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.3 mt -81.47 -31.08 33.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.83 -45.82 95.73 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.453 1.095 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.445 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.4 p -67.81 -47.35 79.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.386 0.698 . . . . 0.0 109.361 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.451 ' CD1' ' O ' ' A' ' 28' ' ' PRO . 52.3 mt -52.43 -57.74 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -38.93 -31.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.411 ' N ' ' C ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -89.51 -54.69 3.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 110.307 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.92 -29.09 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.447 HD12 ' CD2' ' A' ' 13' ' ' LEU . 32.6 mt -70.69 -54.32 12.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.237 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.7 -21.25 10.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.098 . . . . 0.0 109.213 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -55.11 31.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.411 1.069 . . . . 0.0 109.374 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.4 p -118.1 -70.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.405 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.89 28.84 3.51 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.2 m -133.85 110.87 10.05 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.439 ' CG1' HD22 ' A' ' 16' ' ' LEU . 10.0 m -42.91 -49.93 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.99 -43.45 73.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 41' ' ' CYS . 8.1 mp -64.94 -50.47 66.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.356 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.0 m -41.89 -51.67 4.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mt -43.67 -61.29 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.264 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.8 m -56.88 -54.19 49.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.39 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -43.1 -49.99 6.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.3 mt -64.87 -44.8 88.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.25 -66.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -100.42 -84.75 0.42 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.459 1.099 . . . . 0.0 110.325 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -155.59 -73.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.57 1.169 . . . . 0.0 111.024 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 49.43 79.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 0.723 . . . . 0.0 109.236 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.4 t -134.97 131.36 52.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 109.275 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -113.25 87.5 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.602 1.189 . . . . 0.0 109.359 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -48.61 156.24 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 7.0 mmt -110.68 152.35 43.41 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -178.74 4.37 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.508 1.794 . . . . 0.0 110.996 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -118.81 165.49 13.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.1 p-10 -130.66 95.26 3.81 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.5 pp . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.1 t 64.64 110.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.514 0.773 . . . . 0.0 110.01 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.5 m -125.85 101.53 6.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.9 136.71 8.58 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.8 114.44 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 0.737 . . . . 0.0 109.941 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m 62.32 142.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.558 1.161 . . . . 0.0 110.013 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.48 -90.19 0.11 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.48 1.112 . . . . 0.0 111.028 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.7 m -142.32 93.23 7.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.546 0.792 . . . . 0.0 109.967 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 163.87 34.57 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.464 1.771 . . . . 0.0 111.027 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -177.52 143.94 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.7 t -90.98 41.31 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 61.93 164.45 0.09 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.472 1.108 . . . . 0.0 110.22 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 mt -87.97 -54.82 4.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.341 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.6 -61.29 1.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.5 m -39.16 -57.19 1.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.413 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 17' ' ' ALA . 47.0 mt -55.36 -54.87 38.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.495 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -39.94 -35.05 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.231 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -61.93 -54.71 38.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 22' ' ' GLU . 3.7 mtt-85 -62.29 -68.22 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 110.265 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.481 ' CG2' ' HA ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -40.11 -42.39 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 4.0 tptm -65.51 -49.78 67.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 19' ' ' ARG . 1.7 tm-20 -48.19 -45.1 33.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.3 t -67.68 -44.24 86.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.492 ' O ' ' CG1' ' A' ' 27' ' ' VAL . 12.2 mt -132.78 91.92 28.14 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -23.23 13.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.417 1.746 . . . . 0.0 110.977 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -58.97 -59.72 5.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.579 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.492 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 2.5 p -45.37 143.09 2.88 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.486 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.95 167.43 27.07 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.544 1.812 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 43.5 mt -82.03 -48.56 11.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -44.37 -43.73 7.66 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.468 1.105 . . . . 0.0 111.07 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 0.8 OUTLIER -74.52 -48.63 34.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.552 0.795 . . . . 0.0 109.286 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.486 ' CD1' ' O ' ' A' ' 28' ' ' PRO . 26.8 mt -48.54 -57.92 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -41.68 -50.02 4.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.31 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -58.75 3.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.43 1.081 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -40.61 -39.84 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.268 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 40' ' ' GLY . 41.4 mt -56.39 -60.79 3.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.19 -39.24 69.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.246 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.53 -50.06 7.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.0 p -110.74 -72.08 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.366 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 113.42 31.54 2.36 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 0.0 111.05 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -153.82 110.81 3.41 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.461 ' HA ' ' CG1' ' A' ' 20' ' ' VAL . 12.2 m -40.74 -50.39 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -56.0 -57.15 13.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 mp -48.91 -49.3 40.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.5 m -49.54 -57.28 7.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.4 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.5 mt -42.43 -52.03 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -67.8 -45.16 75.56 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.404 1.065 . . . . 0.0 110.409 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -52.94 -37.63 61.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.433 1.083 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.2 mt -61.85 -59.48 5.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.269 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -54.17 -63.51 1.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -51.8 -75.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.27 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.81 65.03 0.47 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.425 1.078 . . . . 0.0 110.952 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.31 -99.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 109.354 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 92.2 t 65.27 129.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.01 124.9 21.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -100.49 168.15 9.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 111.041 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.69 112.99 12.98 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.932 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 104.47 1.91 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.456 1.766 . . . . 0.0 111.023 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 63.38 166.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 63.14 123.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 65.5 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 0.0 109.269 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t 63.54 99.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.98 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.7 t -143.69 124.12 13.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.996 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.89 -163.6 14.28 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.519 1.137 . . . . 0.0 111.046 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.84 166.51 11.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.764 . . . . 0.0 109.992 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.11 168.46 11.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.969 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.36 143.19 3.78 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.5 m -169.95 159.59 6.72 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.455 0.738 . . . . 0.0 110.022 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 56.06 4.14 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.369 1.721 . . . . 0.0 110.953 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t0 176.6 121.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.4 t -111.64 38.06 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.22 2.17 25.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.605 1.191 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.53 -54.32 23.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.33 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.1 -58.13 3.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.1 m -48.93 -38.2 22.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.442 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.415 ' C ' ' N ' ' A' ' 18' ' ' GLN . 77.3 mt -71.25 -62.88 1.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.494 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -40.0 -32.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.415 ' N ' ' C ' ' A' ' 16' ' ' LEU . 7.2 mt-30 -61.73 -58.73 6.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -57.72 -68.03 0.28 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.473 ' CG2' ' HA ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -40.77 -41.14 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 7.0 tptt -70.68 -46.0 63.99 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' ARG . 6.1 tt0 -56.78 -44.0 81.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.9 t -74.87 -38.68 44.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.354 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.413 HD22 ' NE2' ' A' ' 26' ' ' HIS . 14.2 mt -132.67 90.75 31.94 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -40.8 0.8 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.413 ' NE2' HD22 ' A' ' 24' ' ' LEU . 1.6 p-80 -39.87 -67.6 0.22 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.557 1.161 . . . . 0.0 109.663 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.7 p -44.11 142.73 2.06 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.229 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.431 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 18.3 Cg_endo -75.0 170.02 21.34 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.468 1.773 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.3 mt -84.81 -45.58 12.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -46.67 -38.75 10.02 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.418 1.074 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.444 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.2 p -79.1 -46.3 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 109.239 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.444 ' N ' ' CG1' ' A' ' 31' ' ' VAL . 40.3 mt -49.17 -58.14 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -48.73 -47.27 41.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.274 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.94 -58.24 6.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 38' ' ' LYS . 6.9 t70 -45.6 -54.68 7.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 40' ' ' GLY . 19.0 mt -44.44 -53.57 6.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -40.74 -35.22 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 35' ' ' ASP . 3.7 mmmm -65.06 -53.59 43.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 36' ' ' LEU . 76.0 p -95.37 -74.46 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.444 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 89.41 35.83 7.79 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -160.06 111.02 1.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.495 ' O ' ' CB ' ' A' ' 43' ' ' ASP . 26.9 m -40.46 155.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 42' ' ' VAL . 2.3 t70 81.5 -53.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.1 -34.78 68.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.357 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.5 m -69.56 -50.88 40.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.598 1.186 . . . . 0.0 110.431 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.3 mp -43.98 -68.23 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 51' ' ' GLU . 12.4 m -49.0 -52.34 25.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 1.074 . . . . 0.0 110.385 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -48.93 -39.83 27.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.89 -34.67 65.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.6 tp -93.86 -67.93 0.83 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' THR . 0.9 OUTLIER -64.99 -93.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.088 . . . . 0.0 110.294 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.43 -100.21 0.14 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.483 1.114 . . . . 0.0 111.049 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 54.53 65.36 1.52 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 0.771 . . . . 0.0 109.355 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.4 t -125.22 152.34 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 178.84 147.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -72.23 151.44 42.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.43 152.22 49.47 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 111.069 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 158.08 42.62 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.526 1.803 . . . . 0.0 111.015 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.466 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER 55.32 167.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.466 ' CB ' ' O ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER 158.81 132.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.2 pt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.91 103.26 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 0.777 . . . . 0.0 110.02 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.9 p -93.07 151.96 19.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.958 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.02 146.45 16.56 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.12 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.75 79.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.983 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 40.67 84.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.03 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 39.01 92.12 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.448 1.092 . . . . 0.0 111.047 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.4 150.38 9.24 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.558 0.799 . . . . 0.0 109.954 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 85.76 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.782 . . . . 0.0 111.038 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -164.41 130.27 2.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 36.9 t -126.12 -118.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 -119.55 151.77 38.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.252 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.98 -61.47 1.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.09 -60.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.387 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.9 m -48.17 -46.71 34.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.389 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.461 HD21 ' CG1' ' A' ' 42' ' ' VAL . 90.9 mt -63.82 -66.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.49 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . . . -39.62 -39.86 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -60.58 -50.37 73.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 16' ' ' LEU . 54.5 mtt-85 -66.49 -68.28 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.49 ' CG2' ' HA ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -40.08 -38.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.467 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 7.9 tptt -67.95 -52.89 30.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.365 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -42.77 -45.69 4.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.326 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.6 t -69.22 -48.63 67.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.356 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.412 ' O ' ' CG1' ' A' ' 27' ' ' VAL . 11.5 mt -123.73 90.78 50.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.363 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -21.4 16.04 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 110.995 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -62.09 -57.96 9.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.603 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.412 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 7.1 p -47.6 141.44 7.2 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.432 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.92 163.31 35.71 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.479 1.778 . . . . 0.0 111.021 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 80.4 mt -79.28 -40.92 29.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.52 -44.16 45.96 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.459 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.2 p -75.44 -47.27 35.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.462 0.742 . . . . 0.0 109.255 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.459 ' N ' ' CG1' ' A' ' 31' ' ' VAL . 41.7 mt -49.97 -45.25 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -56.93 -46.89 81.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.33 -56.87 7.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -45.41 -43.91 11.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.4 HD13 ' CB ' ' A' ' 16' ' ' LEU . 14.5 mt -52.25 -58.74 5.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 109.243 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.21 -40.89 78.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.231 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.38 -30.4 1.32 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.6 p -134.16 -98.71 0.26 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.52 1.138 . . . . 0.0 110.454 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 137.82 44.83 0.08 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.112 . . . . 0.0 111.04 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -161.16 114.27 1.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.461 ' CG1' HD21 ' A' ' 16' ' ' LEU . 12.2 m -41.31 -50.38 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.12 -53.03 56.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.2 mp -51.16 -54.09 28.58 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.0 m -43.1 -56.85 3.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 110.463 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mt -44.26 -65.35 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.6 m -53.6 -55.84 22.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 110.392 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.429 ' O ' ' N ' ' A' ' 52' ' ' GLY . 89.1 m-20 -41.64 -49.24 4.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 43.6 mt -55.44 -59.23 5.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 mt -56.83 -66.02 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.365 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.39 -78.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 48' ' ' ASN . . . 117.11 65.53 0.35 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.473 1.108 . . . . 0.0 110.954 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.54 -100.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.9 t 64.42 134.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.69 133.78 45.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.48 ' O ' ' CD1' ' A' ' 56' ' ' PHE . 46.1 t80 -85.72 -5.82 59.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 111.043 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.8 mtt 41.21 91.32 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 139.28 24.2 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.474 1.776 . . . . 0.0 111.028 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.1 144.09 24.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.255 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -168.27 110.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.8 128.19 54.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 0.783 . . . . 0.0 110.028 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.24 105.43 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.968 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.38 -176.84 28.95 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 111.058 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.68 117.52 34.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 0.795 . . . . 0.0 109.942 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.53 168.95 18.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.029 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.472 ' O ' ' CB ' ' A' ' 8' ' ' SER . . . -110.33 -74.17 0.76 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.493 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.1 OUTLIER 161.85 -51.73 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.461 0.742 . . . . 0.0 110.003 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 8' ' ' SER . 18.2 Cg_endo -75.02 89.89 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.397 1.735 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -102.93 97.54 7.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.3 t -132.22 40.15 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.407 1.067 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -87.38 157.23 19.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.339 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.45 ' CD2' ' HA ' ' A' ' 33' ' ' GLN . 0.1 OUTLIER -40.45 -51.7 2.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.58 -60.48 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.8 m -51.32 -57.97 7.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.429 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.427 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 66.9 mt -47.68 -65.83 0.5 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.489 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . . . -39.83 -37.9 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.92 -52.64 64.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.588 1.18 . . . . 0.0 110.289 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 22' ' ' GLU . 15.9 mmt-85 -63.98 -68.33 0.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.344 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.489 ' CG2' ' HA ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -40.17 -39.56 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.52 1.138 . . . . 0.0 109.36 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 29.0 tptt -67.8 -49.94 59.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.087 . . . . 0.0 109.273 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 19' ' ' ARG . 13.2 mm-40 -45.69 -47.17 15.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.353 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.8 t -69.52 -46.96 74.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.85 90.66 50.04 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -41.22 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.505 1.792 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -41.18 -62.81 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.646 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 2.9 p -49.62 142.65 11.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.421 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.98 163.04 36.16 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.447 1.762 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 23.7 mt -79.48 -39.66 31.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.355 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.27 -47.41 42.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.54 1.15 . . . . 0.0 111.058 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.7 p -71.95 -48.97 47.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.48 0.753 . . . . 0.0 109.367 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.483 ' N ' ' CG1' ' A' ' 31' ' ' VAL . 14.6 mt -45.51 -51.03 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.45 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 65.2 mt-30 -45.5 -62.02 1.45 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 110.279 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -40.44 91.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.242 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -57.65 -36.78 72.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 65.2 mt -66.0 -24.48 66.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.3 -32.56 49.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.407 ' HG3' ' CG1' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -62.62 -45.88 90.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.2 p -102.74 -80.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.386 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.79 23.35 6.23 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.523 1.14 . . . . 0.0 111.038 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -150.52 111.51 4.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.3 m -41.2 -51.58 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -53.99 -54.03 44.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.356 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 tp -54.6 -50.46 68.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.235 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 90.4 m -42.94 -57.33 2.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.346 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mt -50.03 -67.66 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 50' ' ' LEU . 1.1 m -47.82 -61.21 2.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.098 . . . . 0.0 110.443 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -46.27 -41.47 13.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.2 mt -65.0 -37.35 87.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.397 1.061 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.462 ' CD1' ' C ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -64.47 -68.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -55.52 -31.74 62.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.57 58.84 2.98 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.542 1.151 . . . . 0.0 111.059 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.0 -100.35 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 109.367 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.407 ' CG1' ' HG3' ' A' ' 38' ' ' LYS . 66.4 t 65.83 142.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 68.45 92.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.26 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -83.81 159.03 21.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.29 153.4 39.67 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 111.071 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 119.91 5.85 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.528 1.804 . . . . 0.0 111.063 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -71.39 162.55 29.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -140.57 29.01 1.96 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 29.9 mm . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -168.59 -58.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 0.731 . . . . 0.0 110.012 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.2 p -64.89 170.22 4.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.997 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.14 -132.74 11.42 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.91 116.1 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 0.0 110.003 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.0 t -52.15 -54.76 26.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 0.0 110.025 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.0 71.12 0.36 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.476 1.11 . . . . 0.0 111.029 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.47 148.53 85.9 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.467 0.745 . . . . 0.0 109.971 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 61.48 5.69 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.421 1.748 . . . . 0.0 111.001 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.0 p30 -115.07 99.92 7.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 83.0 t -109.81 39.16 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 16' ' ' LEU . 1.4 mt-30 -80.18 2.11 25.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.348 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.42 -56.2 16.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.89 -62.06 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.0 m -52.01 -29.06 19.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.418 1.074 . . . . 0.0 110.354 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.461 HD23 ' CG1' ' A' ' 42' ' ' VAL . 28.9 mt -76.22 -64.52 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.514 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . . . -40.24 -29.97 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.434 ' N ' ' C ' ' A' ' 16' ' ' LEU . 23.8 mt-30 -61.79 -74.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.289 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 20' ' ' VAL . 3.9 mtt85 -41.16 -66.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.514 ' CG2' ' HA ' ' A' ' 17' ' ' ALA . 0.9 OUTLIER -39.49 -68.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 109.284 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.405 ' NZ ' ' O ' ' A' ' 27' ' ' VAL . 22.8 tptt -47.9 -43.2 28.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -52.25 -43.91 64.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.443 1.09 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.6 t -77.5 -41.37 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.35 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.41 HD12 ' CD1' ' A' ' 49' ' ' LEU . 16.4 mt -130.26 91.8 37.68 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.24 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -33.21 4.76 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.498 1.788 . . . . 0.0 110.977 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -42.45 -58.28 2.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.593 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.433 ' CG1' HD13 ' A' ' 49' ' ' LEU . 3.6 p -56.36 142.37 68.63 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.44 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.96 161.05 39.51 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.803 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.8 mt -79.2 -35.3 41.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.413 1.071 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.79 -49.48 70.36 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.559 1.162 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.3 p -64.82 -46.25 92.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.441 ' N ' ' CG1' ' A' ' 31' ' ' VAL . 40.6 mt -53.44 -57.95 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -41.51 -38.36 1.29 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.334 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.86 -50.77 9.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.248 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.62 -28.33 20.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.0 mt -63.88 -53.63 47.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.33 -32.4 68.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -36.32 61.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.4 p -134.81 -78.55 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.429 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.32 33.08 1.52 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -141.68 108.11 5.3 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.461 ' CG1' HD23 ' A' ' 16' ' ' LEU . 18.2 m -40.78 -56.49 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -45.89 -48.36 16.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.2 mp -58.8 -56.54 20.85 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.45 1.093 . . . . 0.0 109.316 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.0 m -43.68 -57.16 3.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.456 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mt -42.24 -58.27 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.093 . . . . 0.0 109.309 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.6 m -63.65 -59.46 4.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 110.44 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 49' ' ' LEU . 9.5 m-20 -40.73 -40.46 1.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.433 HD13 ' CG1' ' A' ' 27' ' ' VAL . 0.4 OUTLIER -40.54 -60.26 1.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.263 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 mt -88.79 -65.56 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.01 -60.11 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.15 117.91 4.4 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -156.87 79.57 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 0.789 . . . . 0.0 109.271 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.2 t -134.04 131.75 55.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -114.21 130.74 56.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.485 ' O ' ' CD1' ' A' ' 56' ' ' PHE . 42.6 t80 -89.02 -6.0 57.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.9 mmt 39.92 92.58 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.401 1.063 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 169.29 22.93 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.54 1.81 . . . . 0.0 111.073 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 1.0 OUTLIER -124.81 155.36 39.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.397 1.061 . . . . 0.0 110.242 -179.913 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.446 ' CB ' ' O ' ' A' ' 59' ' ' GLU . 5.9 t70 78.08 128.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 44.0 mm . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.3 p -129.71 -58.51 1.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 110.019 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.25 163.49 13.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.034 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.02 -157.24 27.87 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 57.84 103.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 0.735 . . . . 0.0 110.016 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 m 58.62 110.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.99 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.03 -112.31 3.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.92 91.74 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.771 . . . . 0.0 109.996 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 135.63 19.25 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.502 1.791 . . . . 0.0 110.959 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 11' ' ' VAL . 9.8 t70 -170.12 133.55 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.55 ' CG1' ' O ' ' A' ' 11' ' ' VAL . 53.2 t 36.66 41.76 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -100.76 177.89 4.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.64 -46.06 58.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.26 -55.63 29.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.4 m -46.67 -35.79 6.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.342 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.442 ' C ' ' N ' ' A' ' 18' ' ' GLN . 51.5 mt -72.12 -63.9 1.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.483 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . . . -40.12 -30.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.442 ' N ' ' C ' ' A' ' 16' ' ' LEU . 41.5 mm-40 -66.14 -53.72 34.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -64.78 -67.14 0.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.428 1.08 . . . . 0.0 110.301 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.483 ' CG2' ' HA ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -39.86 -37.19 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 5.4 tptm -77.71 -53.12 7.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.38 -42.4 10.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 110.322 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.8 t -77.23 -43.82 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.443 ' O ' ' CG1' ' A' ' 27' ' ' VAL . 3.8 mt -115.69 90.42 26.46 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.459 1.1 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -14.91 21.03 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.418 1.746 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.455 ' O ' ' CD2' ' A' ' 26' ' ' HIS . 42.5 p-80 -94.0 70.62 3.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 109.662 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.443 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 2.5 p -176.93 142.95 0.54 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.448 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.97 157.28 42.97 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.516 1.798 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 81.1 mt -80.45 -37.88 31.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.13 -43.11 83.51 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.467 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.1 p -74.35 -47.36 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 0.789 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.467 ' N ' ' CG1' ' A' ' 31' ' ' VAL . 15.4 mt -49.39 -51.11 15.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 109.214 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -48.06 -56.68 7.16 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.53 1.143 . . . . 0.0 110.349 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.92 -42.05 97.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.7 -31.64 66.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.0 mt -69.71 -53.74 17.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.28 -25.96 60.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -25.25 50.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 p -138.64 -70.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 0.0 110.34 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.82 28.87 2.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.444 1.09 . . . . 0.0 111.018 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -153.44 123.17 6.79 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 23.4 m -50.94 -53.46 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 109.264 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -53.76 -21.76 7.96 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mp -89.93 -32.32 16.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.9 m -73.67 -45.82 50.22 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.424 ' CG2' ' N ' ' A' ' 47' ' ' THR . 1.3 tt -57.81 -52.42 58.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 50' ' ' LEU . 33.5 m -59.46 -60.93 3.07 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.563 1.164 . . . . 0.0 110.405 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.413 ' ND2' ' HB2' ' A' ' 53' ' ' ALA . 6.0 m-20 -43.93 -43.87 6.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.08 -43.1 30.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 47' ' ' THR . 1.5 mt -91.46 -67.83 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 47' ' ' THR . 5.8 mm-40 -42.71 -82.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.122 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.6 105.52 1.82 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 111.067 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.413 ' HB2' ' ND2' ' A' ' 48' ' ' ASN . . . -132.21 -99.93 0.29 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 0.753 . . . . 0.0 109.322 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.8 t 66.49 137.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.098 . . . . 0.0 109.279 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 70.52 140.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -81.08 156.49 25.79 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.546 1.154 . . . . 0.0 110.974 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.72 115.29 65.17 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 110.956 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 175.38 11.32 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.445 1.76 . . . . 0.0 110.991 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.42 157.66 42.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -157.49 108.27 2.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.2 pt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.959 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m -79.75 168.13 19.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 110.039 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.86 155.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.021 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.55 103.66 1.78 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 111.043 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.96 -58.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.78 . . . . 0.0 110.021 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.4 m -105.07 161.26 14.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.28 -171.47 15.95 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.418 1.074 . . . . 0.0 111.028 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.75 94.0 31.15 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.539 0.788 . . . . 0.0 109.985 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 177.08 9.07 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 110.969 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -135.68 113.69 11.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 38.3 t -111.45 39.58 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 62.32 164.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 mt -89.84 -33.48 16.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.05 -64.79 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.439 ' O ' ' CB ' ' A' ' 18' ' ' GLN . 79.5 m -40.3 -63.73 0.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.349 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.469 ' CD2' HG11 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -44.26 -71.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 109.326 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -39.91 -35.58 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.439 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -61.99 -56.36 19.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -59.3 -66.51 0.5 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 1.175 . . . . 0.0 110.322 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.486 ' CG2' ' HA ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -42.81 -43.03 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 9.3 tptt -69.49 -40.82 76.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 19' ' ' ARG . 5.0 tp10 -64.69 -47.1 79.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 110.355 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.1 t -62.45 -35.04 67.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 mt -130.66 86.96 51.17 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.455 1.097 . . . . 0.0 109.395 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 52.05 2.92 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.506 1.793 . . . . 0.0 111.083 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -139.74 -59.74 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.631 1.207 . . . . 0.0 109.56 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.458 ' CG2' HG13 ' A' ' 32' ' ' ILE . 2.5 p -50.92 143.03 16.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.498 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 18.3 Cg_endo -75.01 162.08 37.7 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.509 1.794 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.8 mt -80.9 -41.64 22.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.36 -40.68 38.75 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.0 OUTLIER -79.3 -46.36 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.563 0.802 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' A' ' 28' ' ' PRO . 40.1 mt -53.94 -56.16 10.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -47.06 -51.45 17.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 110.261 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -65.67 -59.39 3.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.81 -41.12 6.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 40' ' ' GLY . 27.9 mt -53.32 -41.64 65.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' ARG . . . -59.95 -17.69 39.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.47 ' HD3' ' CG1' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -85.98 -45.65 11.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.5 p -99.37 -71.13 0.71 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.411 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 93.28 10.49 59.45 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.5 t -134.12 118.47 17.74 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.469 HG11 ' CD2' ' A' ' 16' ' ' LEU . 7.3 m -47.04 -49.01 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -50.35 -65.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.417 HD21 ' CB ' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -47.77 -53.81 14.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 61.8 m -42.21 -58.34 2.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.367 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.5 mt -40.91 -66.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 50' ' ' LEU . 97.8 m -56.49 -51.86 66.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.385 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.452 ' OD1' ' CG2' ' A' ' 54' ' ' VAL . 7.8 t30 -41.87 -50.57 4.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 109.239 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -40.47 -40.78 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.322 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 47' ' ' THR . 3.5 tp -94.14 -68.0 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.404 ' N ' ' HG ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -49.61 -87.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.346 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 136.74 49.67 0.07 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.431 1.082 . . . . 0.0 111.03 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.417 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -62.73 -16.12 56.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 109.364 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.47 ' CG1' ' HD3' ' A' ' 38' ' ' LYS . 60.4 t -45.39 141.19 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.46 167.1 10.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -143.01 136.79 28.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.401 1.063 . . . . 0.0 111.029 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.3 mtt -68.32 113.32 14.62 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 111.053 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 152.39 40.42 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.03 151.49 33.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -141.21 96.5 3.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.261 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 p -158.0 117.72 3.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.435 0.727 . . . . 0.0 110.038 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.5 p -175.33 157.27 2.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.999 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.81 -139.62 4.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.531 1.144 . . . . 0.0 111.053 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.71 147.66 39.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 110.024 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -63.73 126.27 27.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.973 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.16 108.53 1.62 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.456 1.097 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.1 m -157.73 116.54 1.9 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.532 0.784 . . . . 0.0 109.984 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 166.67 28.63 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.452 1.764 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -133.34 107.46 8.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.403 ' CG1' ' N ' ' A' ' 12' ' ' GLN . 59.5 t -123.53 -112.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.403 ' N ' ' CG1' ' A' ' 11' ' ' VAL . 1.4 tt0 58.22 164.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.589 1.181 . . . . 0.0 110.323 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.447 ' CD2' HD11 ' A' ' 36' ' ' LEU . 4.9 mt -90.0 -40.9 12.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.71 -62.87 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.3 m -39.68 -36.46 0.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 110.411 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.426 ' C ' ' N ' ' A' ' 18' ' ' GLN . 71.0 mt -73.58 -61.24 1.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.492 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . . . -40.14 -31.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.426 ' N ' ' C ' ' A' ' 16' ' ' LEU . 2.7 mm-40 -64.93 -54.22 34.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.422 1.077 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 22' ' ' GLU . 4.6 mtt-85 -63.36 -67.49 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.391 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.492 ' CG2' ' HA ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -39.76 -40.42 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.466 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 26.0 tptt -68.37 -50.87 50.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 19' ' ' ARG . 1.9 mm-40 -43.23 -41.15 3.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.591 1.182 . . . . 0.0 110.375 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.6 t -77.66 -43.24 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.476 ' O ' ' CG1' ' A' ' 27' ' ' VAL . 2.5 mt -123.34 90.48 50.45 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.087 . . . . 0.0 109.235 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -44.23 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.469 1.773 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -42.9 -64.01 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.618 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 2.5 p -42.94 143.03 1.31 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 165.1 32.01 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.52 1.8 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.7 mt -85.27 -34.37 21.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.43 -31.82 67.25 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.576 1.172 . . . . 0.0 111.058 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.442 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.1 p -86.2 -46.11 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.751 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.442 ' N ' ' CG1' ' A' ' 31' ' ' VAL . 13.6 mt -50.57 -51.71 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -46.33 -47.34 18.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.207 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -47.23 39.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -51.7 -33.21 33.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.447 HD11 ' CD2' ' A' ' 13' ' ' LEU . 22.0 mt -61.8 -57.71 10.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.51 -23.66 41.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -20.11 66.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.587 1.179 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 p -138.7 -74.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.378 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.23 19.47 6.28 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 11.4 m -147.8 118.01 7.32 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.4 m -45.24 -55.89 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.09 -61.96 1.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -47.37 -55.16 9.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 61.0 m -42.92 -59.01 2.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.393 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mt -42.97 -61.77 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.367 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 50' ' ' LEU . 2.8 m -56.45 -62.88 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.383 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -41.15 -44.0 2.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.7 mt -51.97 -48.79 64.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 47' ' ' THR . 0.2 OUTLIER -72.1 -54.12 10.74 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -46.39 -73.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.414 1.071 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 117.63 44.06 0.56 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.56 -100.46 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 0.743 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 26.1 t 63.13 133.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.77 173.13 7.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -78.26 151.51 33.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.95 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.93 111.73 5.96 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 150.66 38.71 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.33 168.49 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.488 1.118 . . . . 0.0 110.348 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.0 116.38 0.29 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.139 . . . . 0.0 109.362 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -166.86 -55.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 109.957 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m 71.12 -60.78 0.5 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.095 . . . . 0.0 110.006 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.18 -76.43 0.4 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.3 p 41.22 89.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 109.972 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 m -150.6 -61.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.009 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.26 52.52 0.2 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.463 1.102 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.0 t 52.26 92.21 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.513 0.772 . . . . 0.0 109.968 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 158.65 42.16 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.545 1.813 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.9 t0 62.61 140.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.576 1.172 . . . . 0.0 109.307 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' A' ' 12' ' ' GLN . 59.5 t -126.63 -113.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.412 ' N ' ' CG1' ' A' ' 11' ' ' VAL . 2.5 pt20 -130.78 161.34 31.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.422 1.076 . . . . 0.0 110.352 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.85 -48.05 73.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.166 . . . . 0.0 109.23 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.89 -56.08 5.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.4 m -60.41 -35.34 75.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.38 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 17' ' ' ALA . 62.1 mt -64.11 -61.89 1.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -39.95 -31.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 0.0 109.348 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.81 -64.08 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 0.0 110.257 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 22' ' ' GLU . 4.6 mtm180 -52.39 -68.34 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.481 ' CG2' ' HA ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -41.31 -39.89 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.423 1.077 . . . . 0.0 109.353 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 1.4 tptt -69.04 -47.2 65.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -52.9 -35.56 58.27 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.8 t -82.02 -41.42 18.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.421 ' O ' ' CG1' ' A' ' 27' ' ' VAL . 0.3 OUTLIER -128.1 90.47 47.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -46.23 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.527 1.804 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -40.85 -66.54 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.545 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.421 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 2.5 p -41.21 143.03 0.83 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.123 . . . . 0.0 109.307 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.445 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 18.2 Cg_endo -75.02 171.18 18.82 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.435 1.755 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 72.9 mt -86.62 -47.84 8.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -45.19 -35.47 4.92 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.39 1.056 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.458 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.1 p -81.95 -46.9 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.565 0.803 . . . . 0.0 109.368 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.458 ' N ' ' CG1' ' A' ' 31' ' ' VAL . 24.0 mt -47.91 -56.65 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -41.81 -42.19 2.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.404 ' C ' ' N ' ' A' ' 36' ' ' LEU . 1.9 mtt-85 -77.54 -55.87 5.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -43.4 -28.5 0.35 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 40' ' ' GLY . 11.7 mt -70.45 -53.05 17.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.0 -28.32 51.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.483 ' O ' ' CG1' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -58.81 -42.76 89.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.353 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.7 p -114.78 -72.83 0.68 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.486 1.116 . . . . 0.0 110.381 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 113.51 18.82 6.87 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.418 1.074 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -150.04 115.44 5.48 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.7 m -40.71 -50.66 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.289 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.03 -57.35 9.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mp -55.02 -52.63 62.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.43 ' CG2' HG12 ' A' ' 20' ' ' VAL . 20.0 m -41.24 -53.12 3.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mt -46.31 -71.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.162 . . . . 0.0 109.305 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 50' ' ' LEU . 3.1 m -47.17 -54.99 9.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.078 . . . . 0.0 110.369 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -46.1 -48.16 17.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.219 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.8 mt -60.34 -35.3 75.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 47' ' ' THR . 0.3 OUTLIER -61.06 -62.65 1.7 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 109.264 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -103.01 -76.72 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.248 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.508 ' O ' ' CB ' ' A' ' 53' ' ' ALA . . . 166.8 -99.91 0.16 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.507 1.13 . . . . 0.0 111.065 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 52' ' ' GLY . . . 84.69 -48.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 0.743 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.483 ' CG1' ' O ' ' A' ' 38' ' ' LYS . 2.1 t -115.86 -177.79 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 70.29 84.51 0.14 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -129.7 157.96 40.7 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.56 1.162 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -161.77 120.75 1.44 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.17 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 161.6 38.51 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.484 1.781 . . . . 0.0 110.948 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -104.67 155.91 18.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -179.65 108.68 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.1 mm . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.972 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.79 167.46 4.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 0.734 . . . . 0.0 110.036 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 m -159.51 161.92 35.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.041 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.32 88.34 0.13 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.493 1.121 . . . . 0.0 111.041 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.94 -28.93 0.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 0.728 . . . . 0.0 109.994 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.9 t -70.99 118.85 14.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.052 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.43 126.15 7.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.449 1.093 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.0 p -139.4 151.04 66.05 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.458 0.74 . . . . 0.0 109.986 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.412 ' O ' ' O ' ' A' ' 10' ' ' ASP . 18.3 Cg_endo -75.07 162.21 37.34 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.454 1.765 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER 55.68 106.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.354 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.4 t -134.85 33.78 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.157 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -87.88 154.62 20.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.49 -56.27 2.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.3 -64.28 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.0 m -42.94 -47.18 5.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.428 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 17' ' ' ALA . 67.1 mt -58.92 -62.9 1.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.502 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -39.72 -36.85 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.37 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -55.68 28.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.232 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 22' ' ' GLU . 6.3 mtt180 -60.06 -66.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.485 ' CG2' ' HA ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -42.43 -42.91 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 23.9 tptt -69.88 -41.62 74.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 19' ' ' ARG . 6.8 tt0 -60.16 -25.04 65.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.0 t -93.97 -37.47 8.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.423 1.077 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 26' ' ' HIS . 6.2 mt -130.48 91.12 38.96 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -35.22 3.34 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.532 1.806 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 24' ' ' LEU . 32.7 p-80 -49.48 -61.53 2.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.626 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.444 ' H ' ' CD2' ' A' ' 26' ' ' HIS . 2.5 p -48.79 143.06 8.54 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 162.11 37.65 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.481 1.779 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.3 mt -82.32 -37.06 26.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.361 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.66 -33.3 62.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.459 1.1 . . . . 0.0 110.964 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.413 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 0.6 OUTLIER -86.01 -44.51 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.739 . . . . 0.0 109.254 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.469 ' CG2' HG22 ' A' ' 20' ' ' VAL . 23.1 mt -50.02 -58.69 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -45.42 -64.23 0.77 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.143 . . . . 0.0 110.342 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -53.88 -46.36 71.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 110.293 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 38' ' ' LYS . 30.3 m-20 -55.3 -51.66 65.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 40' ' ' GLY . 17.3 mt -45.18 -34.89 2.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.99 -44.08 93.76 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.445 ' HA ' ' NZ ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -41.88 -41.04 2.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 109.259 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.5 p -123.08 -80.13 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.345 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 117.13 36.08 1.06 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.544 1.152 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.2 m -153.87 114.87 4.07 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.0 m -42.03 -54.94 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -49.67 -50.21 44.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.7 mp -53.97 -59.67 4.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.415 ' HA ' ' ND2' ' A' ' 48' ' ' ASN . 7.9 m -39.21 -56.39 1.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mt -47.29 -55.54 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 0.0 109.261 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -59.76 -51.76 68.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.415 ' ND2' ' HA ' ' A' ' 45' ' ' THR . 5.7 m-20 -47.68 -57.31 5.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.0 mt -53.98 -43.7 70.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.42 -64.38 0.85 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.462 1.101 . . . . 0.0 109.234 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -92.93 -95.32 0.15 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.085 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.93 105.8 0.2 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.456 1.098 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -131.95 71.3 1.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 0.762 . . . . 0.0 109.368 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 76.8 t -127.72 135.39 63.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.253 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -118.91 69.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.421 ' O ' ' CD1' ' A' ' 56' ' ' PHE . 32.4 p90 -45.05 137.46 4.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.17 110.18 2.49 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.092 . . . . 0.0 110.946 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 139.31 23.97 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.457 1.767 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.45 165.71 7.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.345 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -172.36 110.93 0.25 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.559 1.162 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.603 1.19 . . . . 0.0 109.32 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.2 p -129.5 109.59 11.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 0.791 . . . . 0.0 109.927 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 t -169.8 90.29 0.19 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.419 1.074 . . . . 0.0 110.043 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.33 -131.2 7.81 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.554 1.159 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.457 ' CB ' ' HG3' ' A' ' 9' ' ' PRO . 95.7 p -77.88 163.11 26.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 m -116.19 139.09 50.7 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.562 1.164 . . . . 0.0 109.954 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.56 -116.19 2.6 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.572 1.17 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.4 t -114.93 104.46 54.07 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.569 0.805 . . . . 0.0 110.082 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.457 ' HG3' ' CB ' ' A' ' 5' ' ' SER . 18.4 Cg_endo -74.92 165.24 31.81 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.521 1.801 . . . . 0.0 111.017 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -177.51 135.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 0.0 109.296 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -140.9 41.81 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -87.89 166.96 14.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.309 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -42.64 -56.1 3.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.49 -63.86 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.5 m -40.13 -39.6 0.94 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.526 1.141 . . . . 0.0 110.433 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.463 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 45.1 mt -72.76 -52.34 15.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.498 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . . . -44.94 -26.61 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.423 ' N ' ' C ' ' A' ' 16' ' ' LEU . 8.8 tp60 -71.43 -44.45 64.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' LEU . 6.6 mtt180 -74.41 -65.92 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.498 ' CG2' ' HA ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -39.75 -37.08 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.61 -51.61 27.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 19' ' ' ARG . 2.0 mm-40 -44.17 -34.13 1.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 110.343 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.6 t -85.91 -38.21 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 109.337 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.503 ' O ' ' CG1' ' A' ' 27' ' ' VAL . 2.9 mt -126.9 90.19 50.19 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.42 1.075 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -36.47 2.55 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.499 1.789 . . . . 0.0 111.1 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -72.65 70.72 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.584 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 2.5 p -179.94 143.06 0.36 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.596 1.185 . . . . 0.0 109.36 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 165.36 31.44 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.57 1.826 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 23.4 mt -80.77 -45.36 17.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -46.61 -51.37 12.68 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.472 1.107 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.3 p -63.27 -47.43 92.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 0.793 . . . . 0.0 109.354 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.457 ' N ' ' CG1' ' A' ' 31' ' ' VAL . 25.4 mt -51.37 -63.62 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -42.44 -55.75 3.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.88 -50.91 65.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 110.312 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -53.23 -47.79 68.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 40' ' ' GLY . 73.7 mt -50.7 -46.91 59.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.75 -27.57 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.421 1.076 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.427 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -72.9 -59.74 2.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.8 p -101.06 -64.81 1.01 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.376 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 92.75 6.11 64.07 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.581 1.175 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -116.96 117.13 28.84 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.4 m -40.3 -49.33 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.95 -61.36 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.412 ' N ' HD11 ' A' ' 44' ' ' LEU . 6.4 mp -42.97 -56.59 3.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.0 m -39.7 -53.52 2.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.471 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.5 mt -52.89 -67.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.407 1.067 . . . . 0.0 109.263 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 50' ' ' LEU . 2.2 m -48.18 -51.05 26.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.391 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.42 ' ND2' HG21 ' A' ' 54' ' ' VAL . 38.3 t-20 -43.47 -54.11 5.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.246 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.4 mt -61.16 -34.26 74.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' THR . 0.8 OUTLIER -67.88 -39.42 83.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.67 -98.97 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 110.31 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -139.14 -73.99 0.05 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.472 1.107 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 40.88 61.73 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.774 . . . . 0.0 109.267 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.42 HG21 ' ND2' ' A' ' 48' ' ' ASN . 89.9 t -123.17 156.9 29.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.502 1.126 . . . . 0.0 109.229 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.99 136.3 34.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -73.09 165.24 25.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.7 152.86 46.72 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.989 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 143.83 29.67 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.536 1.808 . . . . 0.0 111.032 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -44.53 160.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -147.7 101.61 3.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.6 pp . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 -179.931 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.66 79.34 9.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 0.0 110.054 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.85 -58.57 0.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.083 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.07 70.71 0.39 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.58 1.175 . . . . 0.0 110.964 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 t -172.95 93.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.575 0.809 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t 56.3 89.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.015 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.03 91.76 0.1 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 0.0 111.04 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.38 85.42 0.48 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 110.031 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 59.88 5.31 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.552 1.817 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -120.32 105.93 11.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.118 . . . . 0.0 109.339 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.431 ' CG1' ' N ' ' A' ' 12' ' ' GLN . 59.8 t -123.55 -112.39 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.431 ' N ' ' CG1' ' A' ' 11' ' ' VAL . 8.3 mt-30 -82.66 2.22 34.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -45.66 -60.63 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.94 -63.73 1.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.0 m -41.06 -39.19 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.448 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 19' ' ' ARG . 54.3 mt -66.57 -61.94 1.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.48 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . . . -40.09 -31.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.414 1.071 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.427 ' N ' ' C ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -65.7 -53.57 39.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.095 . . . . 0.0 110.304 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.7 OUTLIER -64.23 -67.42 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.48 ' CG2' ' HA ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -39.61 -43.38 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 23.3 tptt -67.82 -49.28 63.13 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -41.87 -44.83 3.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 110.333 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.1 t -76.34 -44.44 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.476 ' O ' ' CG1' ' A' ' 27' ' ' VAL . 2.1 mt -123.51 90.25 50.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -35.73 2.96 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.493 1.786 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.403 ' CE1' HD22 ' A' ' 24' ' ' LEU . 12.8 p-80 -47.7 -64.2 0.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.655 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 2.5 p -41.42 143.06 0.88 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.483 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 18.4 Cg_endo -75.01 161.21 39.09 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.5 1.789 . . . . 0.0 111.024 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.6 mt -80.81 -33.65 34.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.21 -45.08 94.54 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.466 1.104 . . . . 0.0 110.963 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.438 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.1 p -71.68 -46.06 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 0.737 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.483 ' CD1' ' O ' ' A' ' 28' ' ' PRO . 26.6 mt -51.88 -61.4 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -41.59 -38.95 1.47 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -55.71 5.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -48.36 -26.96 2.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.233 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.5 mt -65.52 -60.18 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.251 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.47 -25.46 51.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -31.77 69.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.2 p -136.46 -77.93 0.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.353 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.74 33.57 1.39 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -149.51 110.57 4.36 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.9 m -41.21 -55.63 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.082 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -44.64 -54.47 6.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.27 -51.95 66.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 97.7 m -45.87 -52.97 10.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.396 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.7 mt -47.15 -53.49 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 51' ' ' GLU . 1.2 m -65.2 -49.72 68.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.356 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -44.14 -45.34 8.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.579 1.175 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.0 mt -58.27 -53.68 55.58 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.578 1.174 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.58 -66.51 0.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.132 . . . . 0.0 109.232 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 47' ' ' THR . 0.3 OUTLIER -54.43 -89.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.607 1.192 . . . . 0.0 110.307 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 129.47 64.35 0.11 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.466 1.104 . . . . 0.0 110.942 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.76 -100.33 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 0.776 . . . . 0.0 109.318 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.6 t 63.57 132.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.255 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 70.03 36.55 1.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.403 ' O ' ' O ' ' A' ' 57' ' ' MET . 13.8 t80 -88.11 -15.54 35.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.403 ' O ' ' O ' ' A' ' 56' ' ' PHE . 0.1 OUTLIER 57.68 115.11 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.181 . . . . 0.0 110.996 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 156.01 42.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.541 1.811 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -128.7 151.05 49.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.8 p-10 -130.69 95.35 3.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.165 . . . . 0.0 109.326 179.952 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.5 mm? . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.406 ' O ' ' CG ' ' A' ' 18' ' ' GLN . . . -53.7 -57.21 11.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.0 m -47.94 -37.8 15.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 110.37 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.666 ' O ' HG22 ' A' ' 20' ' ' VAL . 58.8 mt -74.36 -64.75 0.96 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.514 ' HB1' ' CD2' ' A' ' 29' ' ' LEU . . . -39.99 -30.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.437 ' N ' ' C ' ' A' ' 16' ' ' LEU . 3.1 mm100 -62.35 -60.45 3.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 22' ' ' GLU . 1.0 OUTLIER -56.49 -68.17 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.666 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -40.1 -42.77 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 23.4 tptt -68.87 -48.97 62.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -46.33 -37.22 7.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.1 t -81.68 -41.58 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.472 HD23 ' CE1' ' A' ' 26' ' ' HIS . 0.9 OUTLIER -128.73 90.42 46.22 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -33.99 4.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.527 1.804 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.472 ' CE1' HD23 ' A' ' 24' ' ' LEU . 3.2 p-80 -47.82 -59.86 3.01 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.481 1.113 . . . . 0.0 109.544 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.762 HG13 HD11 ' A' ' 32' ' ' ILE . 2.5 p -50.15 143.03 13.23 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.689 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.4 Cg_endo -74.93 161.49 38.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.514 ' CD2' ' HB1' ' A' ' 17' ' ' ALA . 9.0 mt -79.1 -37.93 37.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.05 -48.05 59.16 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.462 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.4 p -69.41 -47.24 73.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.474 0.749 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.762 HD11 HG13 ' A' ' 27' ' ' VAL . 23.0 mt -49.64 -58.59 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -43.77 -42.42 5.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.327 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -74.45 -51.85 13.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.253 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -49.11 -38.06 23.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.41 HD23 ' OG1' ' A' ' 45' ' ' THR . 55.4 mt -63.38 -45.41 91.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.04 -32.74 72.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -22.32 63.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.623 ' HB ' HD23 ' A' ' 44' ' ' LEU . 13.6 p -139.68 -90.55 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 110.419 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.83 42.21 0.27 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.599 1.187 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.525 ' HB2' HD22 ' A' ' 44' ' ' LEU . 1.2 m -155.84 117.29 3.94 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.516 ' O ' HD12 ' A' ' 46' ' ' ILE . 15.9 m -44.41 -53.61 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.452 ' N ' HG23 ' A' ' 42' ' ' VAL . 27.6 m-20 -50.96 -53.09 36.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.163 . . . . 0.0 109.357 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.623 HD23 ' HB ' ' A' ' 39' ' ' THR . 1.5 mp -49.38 -59.99 3.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.365 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.517 HG21 HG11 ' A' ' 20' ' ' VAL . 1.1 m -38.74 -58.9 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.395 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.516 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.6 mt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.52 -60.9 1.02 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.1 m -47.2 -43.6 21.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.466 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.712 ' O ' HG22 ' A' ' 20' ' ' VAL . 77.0 mt -67.7 -68.82 0.36 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.484 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -40.1 -30.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.433 ' N ' ' C ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -64.13 -57.1 10.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.272 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -60.71 -67.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.712 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -39.79 -37.15 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.43 1.081 . . . . 0.0 109.349 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 19.4 tptt -74.6 -49.85 20.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -45.64 -42.69 11.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.275 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.3 t -78.72 -45.93 24.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.097 . . . . 0.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.49 ' O ' ' CG1' ' A' ' 27' ' ' VAL . 1.1 mt -117.9 90.31 36.39 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -43.5 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.413 1.744 . . . . 0.0 111.028 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.471 ' NE2' HD23 ' A' ' 24' ' ' LEU . 2.1 p-80 -41.06 -63.86 0.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.423 1.077 . . . . 0.0 109.536 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.777 HG13 HD11 ' A' ' 32' ' ' ILE . 2.5 p -43.29 143.05 1.49 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.245 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.693 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.1 Cg_endo -75.09 155.48 42.53 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.427 1.751 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.2 mt -79.1 -24.82 43.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -66.99 -42.51 92.61 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.4 p -73.9 -47.34 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.777 HD11 HG13 ' A' ' 27' ' ' VAL . 23.8 mt -48.86 -46.06 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -53.82 -29.19 39.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 110.268 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.18 -49.47 7.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -49.17 -43.76 42.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.569 HD13 ' HB2' ' A' ' 16' ' ' LEU . 79.1 mt -58.97 -39.03 80.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.09 -23.06 66.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.48 -43.59 48.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.572 1.17 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.482 ' HB ' HD23 ' A' ' 44' ' ' LEU . 49.5 p -118.59 -70.06 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.397 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.442 ' N ' ' OG1' ' A' ' 39' ' ' THR . . . 102.47 18.06 17.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.489 1.118 . . . . 0.0 110.948 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.439 ' CB ' ' HB2' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -127.41 111.91 14.39 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.638 HG13 HD22 ' A' ' 16' ' ' LEU . 18.6 m -42.52 -53.27 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.465 ' N ' HG23 ' A' ' 42' ' ' VAL . 25.5 t0 -53.85 -58.3 7.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.098 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.482 HD23 ' HB ' ' A' ' 39' ' ' THR . 0.8 OUTLIER -46.22 -57.46 4.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 51.7 m -38.78 -56.47 1.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.415 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.444 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.6 mt . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.14 -60.98 2.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.6 m -43.62 -39.18 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.376 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.701 ' O ' HG22 ' A' ' 20' ' ' VAL . 61.5 mt -74.66 -60.44 2.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.545 ' HB1' HD22 ' A' ' 29' ' ' LEU . . . -40.12 -30.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.439 ' N ' ' C ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -63.62 -58.26 7.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 22' ' ' GLU . 2.4 mpt_? -59.46 -68.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.701 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -39.8 -36.99 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.51 1.131 . . . . 0.0 109.398 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 17.9 tptt -75.54 -50.53 15.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -41.39 -45.58 3.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.9 t -76.22 -45.32 35.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.516 HD11 HD12 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -119.55 90.11 42.21 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.399 1.062 . . . . 0.0 109.298 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -37.55 2.01 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.44 1.758 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.452 ' CD2' ' H ' ' A' ' 27' ' ' VAL . 3.4 p-80 -44.57 -70.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.642 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.73 HG13 HD11 ' A' ' 32' ' ' ILE . 2.5 p -41.44 142.99 0.9 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.351 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.689 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.2 Cg_endo -75.04 164.49 33.19 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.524 1.802 . . . . 0.0 110.974 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.545 HD22 ' HB1' ' A' ' 17' ' ' ALA . 33.5 mt -81.64 -39.07 24.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.69 -46.67 66.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.424 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 0.8 OUTLIER -70.33 -44.52 77.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 0.733 . . . . 0.0 109.271 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.73 HD11 HG13 ' A' ' 27' ' ' VAL . 16.1 mt -53.07 -55.6 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -54.19 -45.15 72.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.46 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -65.71 -38.13 88.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -65.28 -50.04 67.24 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.117 . . . . 0.0 109.257 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' GLY . 10.4 mt -48.74 -39.1 23.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -53.44 -39.86 64.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.72 -27.11 26.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.8 p -142.31 -84.59 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.173 . . . . 0.0 110.437 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 119.34 39.8 0.66 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.536 1.147 . . . . 0.0 111.068 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -153.12 120.79 6.0 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.599 HG12 HG13 ' A' ' 20' ' ' VAL . 29.7 m -50.28 -54.2 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.242 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.514 ' N ' HG23 ' A' ' 42' ' ' VAL . 13.9 t0 -47.33 -35.02 7.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.5 mp -81.11 -32.72 33.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 42' ' ' VAL . 18.5 m -72.98 -61.11 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.389 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.516 HD12 HD11 ' A' ' 24' ' ' LEU . 6.2 tp . . . . . 0 C--N 1.324 -0.538 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.525 HD22 ' HG2' ' A' ' 33' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.14 -58.49 6.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.2 m -52.79 -30.07 31.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.454 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.744 HD22 HG13 ' A' ' 42' ' ' VAL . 65.8 mt -74.1 -67.16 0.64 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.492 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -40.0 -30.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.441 ' N ' ' C ' ' A' ' 16' ' ' LEU . 24.4 mt-30 -61.7 -62.2 1.97 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -55.0 -68.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.682 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -40.52 -37.59 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 28.2 tptt -72.23 -49.08 37.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 19' ' ' ARG . 6.1 mm-40 -50.62 -25.12 3.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.257 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.0 t -96.11 -42.07 11.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.56 1.162 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.8 90.31 40.12 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -44.81 0.32 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.463 1.77 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -42.72 -69.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.597 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.675 HG23 ' HD2' ' A' ' 28' ' ' PRO . 2.6 p -46.07 142.81 3.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.675 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.3 Cg_endo -74.93 162.76 36.72 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.505 1.792 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.1 mt -77.34 -43.53 32.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.352 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -47.28 -54.51 10.05 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.554 1.159 . . . . 0.0 111.031 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.462 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.4 p -63.15 -47.61 91.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.794 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.462 ' N ' ' CG1' ' A' ' 31' ' ' VAL . 21.6 mt -44.45 -52.61 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.525 ' HG2' HD22 ' A' ' 13' ' ' LEU . 26.3 mt-30 -53.12 -48.41 67.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.92 -45.32 95.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -58.69 -28.96 66.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.545 HD22 HD13 ' A' ' 16' ' ' LEU . 4.0 mt -72.98 -48.36 37.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.11 -31.04 40.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -32.2 61.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.347 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.3 p -135.92 -84.51 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.44 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.89 42.18 0.27 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.415 1.072 . . . . 0.0 111.019 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -160.32 120.14 2.83 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.744 HG13 HD22 ' A' ' 16' ' ' LEU . 28.5 m -49.29 -54.94 4.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.529 ' N ' HG23 ' A' ' 42' ' ' VAL . 5.4 t70 -48.44 -33.17 8.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.4 mp -81.28 -52.65 7.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 109.259 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.5 m -55.77 -57.83 10.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.406 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.903 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.17 -59.89 4.14 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.8 m -48.3 -35.16 11.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.41 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.661 ' O ' HG22 ' A' ' 20' ' ' VAL . 21.6 mt -65.42 -62.34 1.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -40.2 -29.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.442 ' N ' ' C ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -61.6 -62.14 2.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.7 OUTLIER -54.92 -68.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.276 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.661 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -40.4 -39.28 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.561 1.163 . . . . 0.0 109.347 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -71.38 -49.74 39.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.9 OUTLIER -42.63 -32.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.593 1.183 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.1 t -86.72 -44.08 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.453 ' O ' ' CG1' ' A' ' 27' ' ' VAL . 0.9 OUTLIER -124.73 90.24 51.24 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -36.33 2.57 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 0.0 110.928 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.404 ' CD2' ' H ' ' A' ' 27' ' ' VAL . 4.3 p-80 -49.3 -63.31 1.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.66 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.703 HG23 ' HD2' ' A' ' 28' ' ' PRO . 2.5 p -43.54 143.05 1.63 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.578 1.174 . . . . 0.0 109.255 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.703 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.1 Cg_endo -75.03 171.63 17.95 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.506 1.793 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.9 mt -90.01 -44.55 9.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.69 -23.72 7.05 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 0.8 OUTLIER -93.44 -44.28 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 109.322 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.697 HD12 ' O ' ' A' ' 28' ' ' PRO . 17.3 mt -53.17 -50.58 45.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -57.73 -58.66 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -36.63 68.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.46 -40.38 89.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 40' ' ' GLY . 22.3 mt -62.82 -36.31 82.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.86 -27.88 68.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -66.83 -36.2 81.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.372 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.3 p -125.6 -77.41 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 114.32 21.61 5.47 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.2 m -128.39 103.99 7.46 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.545 HG12 HG13 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -41.37 -41.61 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -59.12 5.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 mp -43.92 -53.47 6.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.242 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.3 m -42.32 -59.89 1.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 110.364 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.509 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.6 mt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.614 HD23 HD12 ' A' ' 36' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.81 -55.05 2.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.402 ' O ' ' CB ' ' A' ' 18' ' ' GLN . 98.9 m -58.79 -64.33 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.153 . . . . 0.0 110.459 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.82 ' O ' HG22 ' A' ' 20' ' ' VAL . 66.9 mt -45.61 -64.67 0.68 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.484 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -39.94 -37.04 0.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.402 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -62.08 -51.15 69.1 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.414 1.071 . . . . 0.0 110.337 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.8 OUTLIER -66.21 -68.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.338 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.876 HG13 HG12 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -39.93 -41.3 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.578 1.174 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 19.5 tptt -71.26 -48.22 52.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.087 . . . . 0.0 109.385 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.7 OUTLIER -47.74 -41.7 23.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.7 t -74.22 -40.66 50.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 21' ' ' LYS . 13.1 mt -132.54 90.64 32.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -23.31 13.91 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.448 1.762 . . . . 0.0 111.038 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -54.73 -61.89 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.549 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.854 HG13 HD11 ' A' ' 32' ' ' ILE . 2.5 p -50.89 143.02 15.94 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.79 ' O ' HD12 ' A' ' 32' ' ' ILE . 18.0 Cg_endo -75.11 165.5 31.03 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.471 1.774 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.452 ' CD2' ' HB1' ' A' ' 17' ' ' ALA . 17.7 mt -81.76 -41.59 20.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -49.42 -44.15 35.85 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.4 p -73.93 -47.62 42.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.466 0.744 . . . . 0.0 109.263 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.854 HD11 HG13 ' A' ' 27' ' ' VAL . 14.7 mt -52.11 -50.48 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.25 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.507 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 37.5 mt-30 -50.95 -39.82 55.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -42.77 37.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.09 -35.24 69.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.614 HD12 HD23 ' A' ' 13' ' ' LEU . 39.7 mt -64.36 -51.49 63.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.345 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.4 -22.61 54.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.64 -32.72 74.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.9 p -139.23 -76.75 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.397 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.52 35.16 1.21 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.569 1.168 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.3 m -146.14 109.15 4.61 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.876 HG12 HG13 ' A' ' 20' ' ' VAL . 15.9 m -40.71 -54.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.479 ' N ' HG23 ' A' ' 42' ' ' VAL . 8.5 t0 -45.05 -46.06 11.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 41' ' ' CYS . 4.1 mp -65.8 -51.74 56.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.0 m -46.3 -49.29 17.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 110.375 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.449 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.6 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.356 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.488 ' CD2' HD13 ' A' ' 36' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.61 -46.62 77.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 39.0 m -63.98 -12.37 37.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.431 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.88 ' O ' HG22 ' A' ' 20' ' ' VAL . 76.1 mt -92.48 -65.09 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.495 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . . . -48.3 -36.45 14.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -62.6 -38.38 89.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -78.59 -68.39 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.311 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.88 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -40.47 -40.07 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.606 1.191 . . . . 0.0 109.367 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.477 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 34.7 tptt -67.71 -49.18 64.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.241 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -53.73 -45.87 70.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.2 t -70.91 -37.54 68.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.3 mt -134.58 90.6 23.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -31.47 6.21 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.438 1.757 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -47.27 -67.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.587 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.868 HG13 HD11 ' A' ' 32' ' ' ILE . 2.5 p -45.81 142.93 3.45 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.382 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.687 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.2 Cg_endo -74.92 158.65 42.37 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.432 1.754 . . . . 0.0 110.968 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.8 mt -73.82 -40.38 63.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -48.74 -55.39 11.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.549 1.156 . . . . 0.0 111.05 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.48 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 2.0 p -65.55 -49.42 78.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.477 0.751 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.868 HD11 HG13 ' A' ' 27' ' ' VAL . 41.6 mt -44.02 -46.36 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -56.26 -45.0 80.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -58.12 3.79 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.519 1.137 . . . . 0.0 110.238 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.3 -27.7 1.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.488 HD13 ' CD2' ' A' ' 13' ' ' LEU . 13.4 mt -73.77 -55.41 6.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.51 -29.15 15.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.358 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -44.08 91.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.2 p -119.74 -70.71 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.369 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 110.95 12.97 14.58 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.12 . . . . 0.0 111.079 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.48 ' HB2' HD22 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -127.16 112.24 14.92 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.471 HG23 ' N ' ' A' ' 43' ' ' ASP . 15.9 m -41.23 -54.48 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.471 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -47.23 -54.45 10.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.534 1.147 . . . . 0.0 109.275 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.48 HD22 ' HB2' ' A' ' 41' ' ' CYS . 7.8 mp -53.93 -45.02 71.12 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.462 1.102 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 49.6 m -56.42 -51.54 67.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 110.351 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.957 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.03 -58.16 3.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.8 m -51.4 -40.54 59.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.406 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.889 ' O ' HG22 ' A' ' 20' ' ' VAL . 60.0 mt -68.42 -63.48 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.492 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . . . -40.48 -29.96 0.1 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.436 ' N ' ' C ' ' A' ' 16' ' ' LEU . 0.9 OUTLIER -62.31 -74.22 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -43.57 -66.69 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.889 HG22 ' O ' ' A' ' 16' ' ' LEU . 2.0 m -40.19 -42.59 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -69.97 -46.61 64.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 109.272 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -49.65 -37.66 29.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.7 t -82.0 -32.58 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.557 ' HB3' ' CE1' ' A' ' 26' ' ' HIS . 0.7 OUTLIER -135.15 87.27 29.17 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.03 -25.71 11.56 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.538 1.809 . . . . 0.0 110.949 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.557 ' CE1' ' HB3' ' A' ' 24' ' ' LEU . 4.5 p80 -58.5 -57.24 13.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.636 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.682 HG23 ' HD2' ' A' ' 28' ' ' PRO . 2.6 p -49.45 142.8 10.93 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.682 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.1 Cg_endo -75.08 161.62 38.25 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.463 1.77 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.408 ' HA ' HD12 ' A' ' 32' ' ' ILE . 13.3 mt -81.47 -31.08 33.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.83 -45.82 95.73 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.453 1.095 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.445 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.4 p -67.81 -47.35 79.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.386 0.698 . . . . 0.0 109.361 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.542 HD11 HG13 ' A' ' 27' ' ' VAL . 52.3 mt -52.43 -57.74 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -38.93 -31.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.411 ' N ' ' C ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -89.51 -54.69 3.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 110.307 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.92 -29.09 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 32.6 mt -70.69 -54.32 12.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.237 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.7 -21.25 10.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.098 . . . . 0.0 109.213 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -55.11 31.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.411 1.069 . . . . 0.0 109.374 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.4 p -118.1 -70.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.405 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.89 28.84 3.51 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.2 m -133.85 110.87 10.05 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.636 HG13 HD22 ' A' ' 16' ' ' LEU . 10.0 m -42.91 -49.93 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.99 -43.45 73.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 41' ' ' CYS . 8.1 mp -64.94 -50.47 66.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.356 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.591 HG21 HG11 ' A' ' 20' ' ' VAL . 4.0 m -41.89 -51.67 4.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.481 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.6 mt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.264 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.422 ' O ' ' HB3' ' A' ' 17' ' ' ALA . . . -44.6 -61.29 1.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.5 m -39.16 -57.19 1.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.413 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.779 ' O ' HG22 ' A' ' 20' ' ' VAL . 47.0 mt -55.36 -54.87 38.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.495 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -39.94 -35.05 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.231 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -61.93 -54.71 38.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 22' ' ' GLU . 3.7 mtt-85 -62.29 -68.22 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 110.265 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.81 HG13 HG12 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -40.11 -42.39 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.753 ' HD3' HD21 ' A' ' 29' ' ' LEU . 4.0 tptm -65.51 -49.78 67.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 19' ' ' ARG . 1.7 tm-20 -48.19 -45.1 33.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.604 HG12 ' HG ' ' A' ' 24' ' ' LEU . 40.3 t -67.68 -44.24 86.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.604 ' HG ' HG12 ' A' ' 23' ' ' VAL . 12.2 mt -132.78 91.92 28.14 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -23.23 13.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.417 1.746 . . . . 0.0 110.977 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -58.97 -59.72 5.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.579 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.754 HG13 HD11 ' A' ' 32' ' ' ILE . 2.5 p -45.37 143.09 2.88 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.69 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.4 Cg_endo -74.95 167.43 27.07 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.544 1.812 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.753 HD21 ' HD3' ' A' ' 21' ' ' LYS . 43.5 mt -82.03 -48.56 11.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -44.37 -43.73 7.66 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.468 1.105 . . . . 0.0 111.07 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 0.8 OUTLIER -74.52 -48.63 34.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.552 0.795 . . . . 0.0 109.286 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.754 HD11 HG13 ' A' ' 27' ' ' VAL . 26.8 mt -48.54 -57.92 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -41.68 -50.02 4.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.31 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -58.75 3.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.43 1.081 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -40.61 -39.84 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.268 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 40' ' ' GLY . 41.4 mt -56.39 -60.79 3.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.19 -39.24 69.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.246 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.53 -50.06 7.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.0 p -110.74 -72.08 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.366 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 113.42 31.54 2.36 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 0.0 111.05 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -153.82 110.81 3.41 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.81 HG12 HG13 ' A' ' 20' ' ' VAL . 12.2 m -40.74 -50.39 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -56.0 -57.15 13.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 mp -48.91 -49.3 40.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.5 m -49.54 -57.28 7.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.4 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.454 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.5 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.433 HD23 HD13 ' A' ' 36' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.1 -58.13 3.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.1 m -48.93 -38.2 22.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.442 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.885 HD22 HG13 ' A' ' 42' ' ' VAL . 77.3 mt -71.25 -62.88 1.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.494 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -40.0 -32.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.415 ' N ' ' C ' ' A' ' 16' ' ' LEU . 7.2 mt-30 -61.73 -58.73 6.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -57.72 -68.03 0.28 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.725 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -40.77 -41.14 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 7.0 tptt -70.68 -46.0 63.99 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' ARG . 6.1 tt0 -56.78 -44.0 81.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.9 t -74.87 -38.68 44.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.354 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.2 mt -132.67 90.75 31.94 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -40.8 0.8 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -39.87 -67.6 0.22 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.557 1.161 . . . . 0.0 109.663 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.668 HG23 ' HD2' ' A' ' 28' ' ' PRO . 2.7 p -44.11 142.73 2.06 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.229 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.668 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.3 Cg_endo -75.0 170.02 21.34 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.468 1.773 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.3 mt -84.81 -45.58 12.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -46.67 -38.75 10.02 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.418 1.074 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.444 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.2 p -79.1 -46.3 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 109.239 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.547 HD11 HG13 ' A' ' 27' ' ' VAL . 40.3 mt -49.17 -58.14 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -48.73 -47.27 41.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.274 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.529 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 0.6 OUTLIER -64.94 -58.24 6.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 110.3 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 38' ' ' LYS . 6.9 t70 -45.6 -54.68 7.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 40' ' ' GLY . 19.0 mt -44.44 -53.57 6.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -40.74 -35.22 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 35' ' ' ASP . 3.7 mmmm -65.06 -53.59 43.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 36' ' ' LEU . 76.0 p -95.37 -74.46 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.444 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 89.41 35.83 7.79 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -160.06 111.02 1.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.885 HG13 HD22 ' A' ' 16' ' ' LEU . 26.9 m -40.46 155.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 42' ' ' VAL . 2.3 t70 81.5 -53.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.1 -34.78 68.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.357 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.5 m -69.56 -50.88 40.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.598 1.186 . . . . 0.0 110.431 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.3 mp . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 179.94 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.45 HD21 ' HA ' ' A' ' 33' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.09 -60.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.387 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.9 m -48.17 -46.71 34.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.389 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.844 ' O ' HG22 ' A' ' 20' ' ' VAL . 90.9 mt -63.82 -66.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.467 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -39.62 -39.86 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -60.58 -50.37 73.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 16' ' ' LEU . 54.5 mtt-85 -66.49 -68.28 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.844 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -40.08 -38.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.467 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 7.9 tptt -67.95 -52.89 30.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.365 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -42.77 -45.69 4.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.326 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.6 t -69.22 -48.63 67.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.356 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.667 ' O ' HG12 ' A' ' 27' ' ' VAL . 11.5 mt -123.73 90.78 50.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.363 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.401 ' HA ' ' HD2' ' A' ' 21' ' ' LYS . 18.3 Cg_endo -74.94 -21.4 16.04 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 110.995 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -62.09 -57.96 9.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.603 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 1.086 HG13 HD11 ' A' ' 32' ' ' ILE . 7.1 p -47.6 141.44 7.2 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.568 ' O ' HD12 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.92 163.31 35.71 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.479 1.778 . . . . 0.0 111.021 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 80.4 mt -79.28 -40.92 29.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.52 -44.16 45.96 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.459 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.2 p -75.44 -47.27 35.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.462 0.742 . . . . 0.0 109.255 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 1.086 HD11 HG13 ' A' ' 27' ' ' VAL . 41.7 mt -49.97 -45.25 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.45 ' HA ' HD21 ' A' ' 13' ' ' LEU . 61.8 mt-30 -56.93 -46.89 81.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.33 -56.87 7.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -45.41 -43.91 11.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 36' ' ' LEU . 14.5 mt -52.25 -58.74 5.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 109.243 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.21 -40.89 78.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.231 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.38 -30.4 1.32 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.403 ' HB ' HD23 ' A' ' 44' ' ' LEU . 5.6 p -134.16 -98.71 0.26 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.52 1.138 . . . . 0.0 110.454 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 137.82 44.83 0.08 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.112 . . . . 0.0 111.04 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -161.16 114.27 1.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.689 HG13 HD22 ' A' ' 16' ' ' LEU . 12.2 m -41.31 -50.38 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.12 -53.03 56.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.403 HD23 ' HB ' ' A' ' 39' ' ' THR . 6.2 mp -51.16 -54.09 28.58 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.46 HG21 HG11 ' A' ' 20' ' ' VAL . 52.0 m -43.1 -56.85 3.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 110.463 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.426 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.6 mt . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.491 ' CD2' ' HA ' ' A' ' 33' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.58 -60.48 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.8 m -51.32 -57.97 7.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.429 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.808 ' O ' HG22 ' A' ' 20' ' ' VAL . 66.9 mt -47.68 -65.83 0.5 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.479 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -39.83 -37.9 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.92 -52.64 64.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.588 1.18 . . . . 0.0 110.289 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 22' ' ' GLU . 15.9 mmt-85 -63.98 -68.33 0.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.344 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.808 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -40.17 -39.56 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.52 1.138 . . . . 0.0 109.36 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 29.0 tptt -67.8 -49.94 59.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.087 . . . . 0.0 109.273 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 19' ' ' ARG . 13.2 mm-40 -45.69 -47.17 15.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.353 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.445 HG12 ' HG ' ' A' ' 24' ' ' LEU . 72.8 t -69.52 -46.96 74.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.445 ' HG ' HG12 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -122.85 90.66 50.04 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -41.22 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.505 1.792 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -41.18 -62.81 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.646 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.817 HG13 HD11 ' A' ' 32' ' ' ILE . 2.9 p -49.62 142.65 11.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.684 ' O ' HD12 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.98 163.04 36.16 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.447 1.762 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 23.7 mt -79.48 -39.66 31.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.355 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.27 -47.41 42.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.54 1.15 . . . . 0.0 111.058 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.7 p -71.95 -48.97 47.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.48 0.753 . . . . 0.0 109.367 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.817 HD11 HG13 ' A' ' 27' ' ' VAL . 14.6 mt -45.51 -51.03 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.491 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 65.2 mt-30 -45.5 -62.02 1.45 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 110.279 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.418 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -60.52 -40.44 91.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.242 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -57.65 -36.78 72.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.513 HD21 HG11 ' A' ' 20' ' ' VAL . 65.2 mt -66.0 -24.48 66.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -78.3 -32.56 49.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.62 -45.88 90.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.2 p -102.74 -80.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.386 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.79 23.35 6.23 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.523 1.14 . . . . 0.0 111.038 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -150.52 111.51 4.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.557 HG12 HG13 ' A' ' 20' ' ' VAL . 13.3 m -41.2 -51.58 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.423 ' N ' HG23 ' A' ' 42' ' ' VAL . 8.2 t0 -53.99 -54.03 44.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.356 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 tp -54.6 -50.46 68.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.235 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 90.4 m -42.94 -57.33 2.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.346 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.939 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.489 HD23 HD12 ' A' ' 36' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.89 -62.06 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.0 m -52.01 -29.06 19.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.418 1.074 . . . . 0.0 110.354 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.785 ' O ' HG22 ' A' ' 20' ' ' VAL . 28.9 mt -76.22 -64.52 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.546 ' O ' HG23 ' A' ' 20' ' ' VAL . . . -40.24 -29.97 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.434 ' N ' ' C ' ' A' ' 16' ' ' LEU . 23.8 mt-30 -61.79 -74.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.289 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 20' ' ' VAL . 3.9 mtt85 -41.16 -66.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.785 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.9 OUTLIER -39.49 -68.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 109.284 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.699 ' H ' HG23 ' A' ' 20' ' ' VAL . 22.8 tptt -47.9 -43.2 28.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -52.25 -43.91 64.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.443 1.09 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.6 t -77.5 -41.37 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.35 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.443 ' O ' HG12 ' A' ' 27' ' ' VAL . 16.4 mt -130.26 91.8 37.68 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.24 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.408 ' HA ' ' HG3' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -75.0 -33.21 4.76 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.498 1.788 . . . . 0.0 110.977 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -42.45 -58.28 2.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.593 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.721 HG13 HD11 ' A' ' 32' ' ' ILE . 3.6 p -56.36 142.37 68.63 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.629 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.3 Cg_endo -74.96 161.05 39.51 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.803 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.8 mt -79.2 -35.3 41.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.413 1.071 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.79 -49.48 70.36 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.559 1.162 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.3 p -64.82 -46.25 92.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.721 HD11 HG13 ' A' ' 27' ' ' VAL . 40.6 mt -53.44 -57.95 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -41.51 -38.36 1.29 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.334 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.86 -50.77 9.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.248 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.62 -28.33 20.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.489 HD12 HD23 ' A' ' 13' ' ' LEU . 18.0 mt -63.88 -53.63 47.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.33 -32.4 68.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -36.32 61.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.4 p -134.81 -78.55 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.429 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.32 33.08 1.52 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -141.68 108.11 5.3 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.744 HG13 HD22 ' A' ' 16' ' ' LEU . 18.2 m -40.78 -56.49 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.513 ' N ' HG23 ' A' ' 42' ' ' VAL . 35.2 t0 -45.89 -48.36 16.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.2 mp -58.8 -56.54 20.85 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.45 1.093 . . . . 0.0 109.316 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.0 m -43.68 -57.16 3.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.456 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.093 . . . . 0.0 109.309 179.91 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.646 HD23 HD13 ' A' ' 36' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.26 -55.63 29.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.4 m -46.67 -35.79 6.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.342 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.753 ' O ' HG22 ' A' ' 20' ' ' VAL . 51.5 mt -72.12 -63.9 1.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.47 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -40.12 -30.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.442 ' N ' ' C ' ' A' ' 16' ' ' LEU . 41.5 mm-40 -66.14 -53.72 34.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -64.78 -67.14 0.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.428 1.08 . . . . 0.0 110.301 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.753 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -39.86 -37.19 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.595 ' HZ3' ' HG ' ' A' ' 29' ' ' LEU . 5.4 tptm -77.71 -53.12 7.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.38 -42.4 10.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 110.322 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.8 t -77.23 -43.82 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.588 HD11 HG13 ' A' ' 46' ' ' ILE . 3.8 mt -115.69 90.42 26.46 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.459 1.1 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -14.91 21.03 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.418 1.746 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 29.8 p80 -94.0 70.62 3.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 109.662 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.812 HG13 HD11 ' A' ' 32' ' ' ILE . 2.5 p -176.93 142.95 0.54 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.714 ' O ' HD12 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.97 157.28 42.97 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.516 1.798 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.595 ' HG ' ' HZ3' ' A' ' 21' ' ' LYS . 81.1 mt -80.45 -37.88 31.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.13 -43.11 83.51 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.467 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.1 p -74.35 -47.36 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 0.789 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.812 HD11 HG13 ' A' ' 27' ' ' VAL . 15.4 mt -49.39 -51.11 15.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 109.214 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -48.06 -56.68 7.16 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.53 1.143 . . . . 0.0 110.349 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.92 -42.05 97.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.7 -31.64 66.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.646 HD13 HD23 ' A' ' 13' ' ' LEU . 10.0 mt -69.71 -53.74 17.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.28 -25.96 60.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -25.25 50.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 p -138.64 -70.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 0.0 110.34 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.82 28.87 2.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.444 1.09 . . . . 0.0 111.018 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -153.44 123.17 6.79 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.726 HG13 HD22 ' A' ' 16' ' ' LEU . 23.4 m -50.94 -53.46 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.494 ' N ' HG23 ' A' ' 42' ' ' VAL . 22.4 t0 -53.76 -21.76 7.96 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mp -89.93 -32.32 16.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.9 m -73.67 -45.82 50.22 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.588 HG13 HD11 ' A' ' 24' ' ' LEU . 1.3 tt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.419 HD22 HD13 ' A' ' 36' ' ' LEU . 6.1 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.05 -64.79 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.439 ' O ' ' CB ' ' A' ' 18' ' ' GLN . 79.5 m -40.3 -63.73 0.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.349 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.919 HD23 HG13 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -44.26 -71.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 109.326 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -39.91 -35.58 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.439 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -61.99 -56.36 19.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -59.3 -66.51 0.5 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 1.175 . . . . 0.0 110.322 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.785 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -42.81 -43.03 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 9.3 tptt -69.49 -40.82 76.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 19' ' ' ARG . 5.0 tp10 -64.69 -47.1 79.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 110.355 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.1 t -62.45 -35.04 67.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 mt -130.66 86.96 51.17 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.455 1.097 . . . . 0.0 109.395 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 52.05 2.92 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.506 1.793 . . . . 0.0 111.083 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -139.74 -59.74 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.631 1.207 . . . . 0.0 109.56 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 1.046 HG13 HD11 ' A' ' 32' ' ' ILE . 2.5 p -50.92 143.03 16.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.682 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.3 Cg_endo -75.01 162.08 37.7 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.509 1.794 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.8 mt -80.9 -41.64 22.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.36 -40.68 38.75 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.0 OUTLIER -79.3 -46.36 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.563 0.802 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 1.046 HD11 HG13 ' A' ' 27' ' ' VAL . 40.1 mt -53.94 -56.16 10.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -47.06 -51.45 17.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 110.261 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -65.67 -59.39 3.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.81 -41.12 6.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.545 HD22 HD22 ' A' ' 16' ' ' LEU . 27.9 mt -53.32 -41.64 65.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' ARG . . . -59.95 -17.69 39.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.98 -45.65 11.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.5 p -99.37 -71.13 0.71 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.411 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 93.28 10.49 59.45 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.5 t -134.12 118.47 17.74 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.919 HG13 HD23 ' A' ' 16' ' ' LEU . 7.3 m -47.04 -49.01 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -50.35 -65.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.77 -53.81 14.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.783 HG21 HG11 ' A' ' 20' ' ' VAL . 61.8 m -42.21 -58.34 2.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.367 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.558 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.5 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.71 -62.87 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.3 m -39.68 -36.46 0.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 110.411 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.739 ' O ' HG22 ' A' ' 20' ' ' VAL . 71.0 mt -73.58 -61.24 1.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.466 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . . . -40.14 -31.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.426 ' N ' ' C ' ' A' ' 16' ' ' LEU . 2.7 mm-40 -64.93 -54.22 34.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.422 1.077 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 22' ' ' GLU . 4.6 mtt-85 -63.36 -67.49 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.391 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.739 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -39.76 -40.42 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.466 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 26.0 tptt -68.37 -50.87 50.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 19' ' ' ARG . 1.9 mm-40 -43.23 -41.15 3.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.591 1.182 . . . . 0.0 110.375 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.6 t -77.66 -43.24 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.476 ' O ' ' CG1' ' A' ' 27' ' ' VAL . 2.5 mt -123.34 90.48 50.45 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.087 . . . . 0.0 109.235 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -44.23 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.469 1.773 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -42.9 -64.01 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.618 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.784 HG13 HD11 ' A' ' 32' ' ' ILE . 2.5 p -42.94 143.03 1.31 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.686 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.1 Cg_endo -75.02 165.1 32.01 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.52 1.8 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.7 mt -85.27 -34.37 21.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.43 -31.82 67.25 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.576 1.172 . . . . 0.0 111.058 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.442 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.1 p -86.2 -46.11 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.751 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.784 HD11 HG13 ' A' ' 27' ' ' VAL . 13.6 mt -50.57 -51.71 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -46.33 -47.34 18.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.207 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -47.23 39.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -51.7 -33.21 33.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.0 mt -61.8 -57.71 10.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.51 -23.66 41.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -20.11 66.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.587 1.179 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 p -138.7 -74.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.378 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.23 19.47 6.28 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 11.4 m -147.8 118.01 7.32 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.71 HG12 HG13 ' A' ' 20' ' ' VAL . 22.4 m -45.24 -55.89 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.521 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -47.09 -61.96 1.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -47.37 -55.16 9.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 61.0 m -42.92 -59.01 2.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.393 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.404 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.6 mt . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.367 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.541 HD23 ' CD1' ' A' ' 36' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.89 -56.08 5.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.4 m -60.41 -35.34 75.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.38 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.68 ' O ' HG22 ' A' ' 20' ' ' VAL . 62.1 mt -64.11 -61.89 1.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -39.95 -31.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 0.0 109.348 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.81 -64.08 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 0.0 110.257 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 22' ' ' GLU . 4.6 mtm180 -52.39 -68.34 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.702 HG13 HG12 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -41.31 -39.89 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.423 1.077 . . . . 0.0 109.353 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.814 ' HD3' HD21 ' A' ' 29' ' ' LEU . 1.4 tptt -69.04 -47.2 65.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -52.9 -35.56 58.27 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.603 HG12 ' HG ' ' A' ' 24' ' ' LEU . 54.8 t -82.02 -41.42 18.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.603 ' HG ' HG12 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -128.1 90.47 47.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -46.23 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.527 1.804 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -40.85 -66.54 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.545 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.689 HG23 ' HD2' ' A' ' 28' ' ' PRO . 2.5 p -41.21 143.03 0.83 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.123 . . . . 0.0 109.307 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.689 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.2 Cg_endo -75.02 171.18 18.82 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.435 1.755 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.814 HD21 ' HD3' ' A' ' 21' ' ' LYS . 72.9 mt -86.62 -47.84 8.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -45.19 -35.47 4.92 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.39 1.056 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.458 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.1 p -81.95 -46.9 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.565 0.803 . . . . 0.0 109.368 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.578 HD12 ' O ' ' A' ' 28' ' ' PRO . 24.0 mt -47.91 -56.65 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -41.81 -42.19 2.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.404 ' C ' ' N ' ' A' ' 36' ' ' LEU . 1.9 mtt-85 -77.54 -55.87 5.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -43.4 -28.5 0.35 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.541 ' CD1' HD23 ' A' ' 13' ' ' LEU . 11.7 mt -70.45 -53.05 17.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.0 -28.32 51.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -42.76 89.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.353 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.7 p -114.78 -72.83 0.68 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.486 1.116 . . . . 0.0 110.381 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 113.51 18.82 6.87 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.418 1.074 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -150.04 115.44 5.48 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.702 HG12 HG13 ' A' ' 20' ' ' VAL . 9.7 m -40.71 -50.66 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.03 -57.35 9.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mp -55.02 -52.63 62.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.412 HG21 HG11 ' A' ' 20' ' ' VAL . 20.0 m -41.24 -53.12 3.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.661 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.6 mt . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.162 . . . . 0.0 109.305 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.492 HD22 ' HG2' ' A' ' 33' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.3 -64.28 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.0 m -42.94 -47.18 5.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.428 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.801 ' O ' HG22 ' A' ' 20' ' ' VAL . 67.1 mt -58.92 -62.9 1.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.502 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -39.72 -36.85 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.37 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -55.68 28.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.232 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 22' ' ' GLU . 6.3 mtt180 -60.06 -66.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.801 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -42.43 -42.91 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 23.9 tptt -69.88 -41.62 74.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 19' ' ' ARG . 6.8 tt0 -60.16 -25.04 65.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.0 t -93.97 -37.47 8.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.423 1.077 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.2 mt -130.48 91.12 38.96 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -35.22 3.34 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.532 1.806 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -49.48 -61.53 2.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.626 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.809 HG13 HD11 ' A' ' 32' ' ' ILE . 2.5 p -48.79 143.06 8.54 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.687 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.4 Cg_endo -75.0 162.11 37.65 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.481 1.779 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.3 mt -82.32 -37.06 26.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.361 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.66 -33.3 62.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.459 1.1 . . . . 0.0 110.964 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.413 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 0.6 OUTLIER -86.01 -44.51 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.739 . . . . 0.0 109.254 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.809 HD11 HG13 ' A' ' 27' ' ' VAL . 23.1 mt -50.02 -58.69 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.492 ' HG2' HD22 ' A' ' 13' ' ' LEU . 43.6 mt-30 -45.42 -64.23 0.77 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.143 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.604 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 17.6 ttt180 -53.88 -46.36 71.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 110.293 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 38' ' ' LYS . 30.3 m-20 -55.3 -51.66 65.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.486 HD13 ' HB2' ' A' ' 16' ' ' LEU . 17.3 mt -45.18 -34.89 2.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -63.99 -44.08 93.76 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.477 ' HA ' ' NZ ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -41.88 -41.04 2.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 109.259 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.5 p -123.08 -80.13 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.345 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 117.13 36.08 1.06 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.544 1.152 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.2 m -153.87 114.87 4.07 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.478 HG23 ' N ' ' A' ' 43' ' ' ASP . 16.0 m -42.03 -54.94 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.478 ' N ' HG23 ' A' ' 42' ' ' VAL . 3.0 m-20 -49.67 -50.21 44.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.7 mp -53.97 -59.67 4.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.9 m -39.21 -56.39 1.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.46 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.6 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 0.0 109.261 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.49 -63.86 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.5 m -40.13 -39.6 0.94 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.526 1.141 . . . . 0.0 110.433 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.838 ' O ' HG22 ' A' ' 20' ' ' VAL . 45.1 mt -72.76 -52.34 15.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.475 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . . . -44.94 -26.61 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.423 ' N ' ' C ' ' A' ' 16' ' ' LEU . 8.8 tp60 -71.43 -44.45 64.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' LEU . 6.6 mtt180 -74.41 -65.92 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.838 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -39.75 -37.08 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.61 -51.61 27.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 19' ' ' ARG . 2.0 mm-40 -44.17 -34.13 1.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 110.343 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.6 t -85.91 -38.21 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 109.337 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.611 HD23 ' CE1' ' A' ' 26' ' ' HIS . 2.9 mt -126.9 90.19 50.19 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.42 1.075 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -36.47 2.55 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.499 1.789 . . . . 0.0 111.1 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.611 ' CE1' HD23 ' A' ' 24' ' ' LEU . 7.9 p80 -72.65 70.72 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.584 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.689 HG23 ' HD2' ' A' ' 28' ' ' PRO . 2.5 p -179.94 143.06 0.36 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.596 1.185 . . . . 0.0 109.36 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.689 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.2 Cg_endo -75.03 165.36 31.44 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.57 1.826 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 23.4 mt -80.77 -45.36 17.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -46.61 -51.37 12.68 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.472 1.107 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.3 p -63.27 -47.43 92.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 0.793 . . . . 0.0 109.354 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.514 HD11 HG13 ' A' ' 27' ' ' VAL . 25.4 mt -51.37 -63.62 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -42.44 -55.75 3.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.525 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -53.88 -50.91 65.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 110.312 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -53.23 -47.79 68.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 40' ' ' GLY . 73.7 mt -50.7 -46.91 59.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -43.75 -27.57 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.421 1.076 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.427 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -72.9 -59.74 2.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.8 p -101.06 -64.81 1.01 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.376 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 92.75 6.11 64.07 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.581 1.175 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.46 ' HB3' HD13 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -116.96 117.13 28.84 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.587 ' O ' HD12 ' A' ' 46' ' ' ILE . 10.4 m -40.3 -49.33 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.95 -61.36 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.46 HD13 ' HB3' ' A' ' 41' ' ' CYS . 6.4 mp -42.97 -56.59 3.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.0 m -39.7 -53.52 2.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.471 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.587 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.5 mt . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.407 1.067 . . . . 0.0 109.263 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.94 -63.73 1.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.0 m -41.06 -39.19 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.448 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.801 HD22 HG13 ' A' ' 42' ' ' VAL . 54.3 mt -66.57 -61.94 1.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.479 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -40.09 -31.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.414 1.071 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.427 ' N ' ' C ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -65.7 -53.57 39.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.095 . . . . 0.0 110.304 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.7 OUTLIER -64.23 -67.42 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.762 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -39.61 -43.38 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 23.3 tptt -67.82 -49.28 63.13 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -41.87 -44.83 3.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 110.333 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.418 HG12 ' HG ' ' A' ' 24' ' ' LEU . 74.1 t -76.34 -44.44 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.476 ' O ' ' CG1' ' A' ' 27' ' ' VAL . 2.1 mt -123.51 90.25 50.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -35.73 2.96 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.493 1.786 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.409 ' HE1' HD23 ' A' ' 24' ' ' LEU . 12.8 p-80 -47.7 -64.2 0.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.655 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.762 HG13 HD11 ' A' ' 32' ' ' ILE . 2.5 p -41.42 143.06 0.88 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.721 ' O ' HD12 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -75.01 161.21 39.09 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.5 1.789 . . . . 0.0 111.024 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.6 mt -80.81 -33.65 34.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.21 -45.08 94.54 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.466 1.104 . . . . 0.0 110.963 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.438 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.1 p -71.68 -46.06 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 0.737 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.762 HD11 HG13 ' A' ' 27' ' ' VAL . 26.6 mt -51.88 -61.4 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -41.59 -38.95 1.47 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -55.71 5.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -48.36 -26.96 2.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.233 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 36' ' ' LEU . 16.5 mt -65.52 -60.18 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.251 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.47 -25.46 51.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -31.77 69.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.2 p -136.46 -77.93 0.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.353 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.74 33.57 1.39 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -149.51 110.57 4.36 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.801 HG13 HD22 ' A' ' 16' ' ' LEU . 14.9 m -41.21 -55.63 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.082 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.486 ' H ' HG23 ' A' ' 42' ' ' VAL . 0.8 OUTLIER -44.64 -54.47 6.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.247 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.27 -51.95 66.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 97.7 m -45.87 -52.97 10.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.396 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.935 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.98 166.33 24.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 0.727 . . . . 0.0 110.045 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.8 p -136.85 146.39 45.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 109.95 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.93 -77.97 0.21 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.76 166.56 6.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 0.743 . . . . 0.0 109.944 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.2 p -45.57 -58.91 3.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.157 . . . . 0.0 109.997 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.46 103.91 0.26 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.36 84.43 23.13 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.468 0.746 . . . . 0.0 109.968 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 85.79 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.478 1.778 . . . . 0.0 111.021 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.525 ' O ' HG21 ' A' ' 15' ' ' THR . 0.5 OUTLIER -156.36 125.34 6.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.361 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.43 ' O ' HG12 ' A' ' 11' ' ' VAL . 17.2 t -129.43 36.65 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -72.52 170.32 14.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -53.0 -44.04 66.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.406 ' O ' ' CG ' ' A' ' 18' ' ' GLN . . . -53.7 -57.21 11.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.525 HG21 ' O ' ' A' ' 10' ' ' ASP . 6.0 m -47.94 -37.8 15.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 110.37 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.666 ' O ' HG22 ' A' ' 20' ' ' VAL . 58.8 mt -74.36 -64.75 0.96 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.514 ' HB1' ' CD2' ' A' ' 29' ' ' LEU . . . -39.99 -30.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.437 ' N ' ' C ' ' A' ' 16' ' ' LEU . 3.1 mm100 -62.35 -60.45 3.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 22' ' ' GLU . 1.0 OUTLIER -56.49 -68.17 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.666 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -40.1 -42.77 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 23.4 tptt -68.87 -48.97 62.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -46.33 -37.22 7.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.1 t -81.68 -41.58 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.472 HD23 ' CE1' ' A' ' 26' ' ' HIS . 0.9 OUTLIER -128.73 90.42 46.22 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -33.99 4.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.527 1.804 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.472 ' CE1' HD23 ' A' ' 24' ' ' LEU . 3.2 p-80 -47.82 -59.86 3.01 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.481 1.113 . . . . 0.0 109.544 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.762 HG13 HD11 ' A' ' 32' ' ' ILE . 2.5 p -50.15 143.03 13.23 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.689 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.4 Cg_endo -74.93 161.49 38.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.514 ' CD2' ' HB1' ' A' ' 17' ' ' ALA . 9.0 mt -79.1 -37.93 37.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.05 -48.05 59.16 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.462 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.4 p -69.41 -47.24 73.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.474 0.749 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.762 HD11 HG13 ' A' ' 27' ' ' VAL . 23.0 mt -49.64 -58.59 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -43.77 -42.42 5.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.327 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -74.45 -51.85 13.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.253 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -49.11 -38.06 23.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.41 HD23 ' OG1' ' A' ' 45' ' ' THR . 55.4 mt -63.38 -45.41 91.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.04 -32.74 72.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.964 ' HD3' HG13 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -60.45 -22.32 63.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.623 ' HB ' HD23 ' A' ' 44' ' ' LEU . 13.6 p -139.68 -90.55 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 110.419 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.83 42.21 0.27 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.599 1.187 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.525 ' HB2' HD22 ' A' ' 44' ' ' LEU . 1.2 m -155.84 117.29 3.94 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.516 ' O ' HD12 ' A' ' 46' ' ' ILE . 15.9 m -44.41 -53.61 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.452 ' N ' HG23 ' A' ' 42' ' ' VAL . 27.6 m-20 -50.96 -53.09 36.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.163 . . . . 0.0 109.357 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.623 HD23 ' HB ' ' A' ' 39' ' ' THR . 1.5 mp -49.38 -59.99 3.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.365 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.517 HG21 HG11 ' A' ' 20' ' ' VAL . 1.1 m -38.74 -58.9 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.395 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.516 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.6 mt -40.48 -62.39 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.6 m -52.89 -57.35 10.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.396 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.452 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 1.8 m-20 -40.81 -51.58 3.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.628 HD11 HG21 ' A' ' 27' ' ' VAL . 2.2 mt -59.97 -48.49 81.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.4 ' HG ' ' N ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -53.58 -55.22 27.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.4 ' N ' ' HG ' ' A' ' 50' ' ' LEU . 4.6 mm-40 -105.82 -95.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.21 -82.47 0.04 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.549 1.156 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.452 ' HB3' ' HA ' ' A' ' 48' ' ' ASN . . . 52.24 82.66 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 0.797 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.964 HG13 ' HD3' ' A' ' 38' ' ' LYS . 73.7 t -135.5 130.48 50.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.529 1.143 . . . . 0.0 109.367 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -163.06 178.29 8.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 33.6 t80 51.22 175.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.469 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 11.2 ttt -176.77 142.33 0.54 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 57' ' ' MET . 18.3 Cg_endo -75.06 -179.26 4.83 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.569 1.826 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -132.02 155.79 47.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 110.274 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 176.84 119.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pp . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.276 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 t -68.23 90.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 110.005 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.22 167.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.74 -126.47 8.05 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.0 p 48.96 92.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 0.784 . . . . 0.0 109.985 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.3 m 64.28 132.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 109.954 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.63 -86.44 0.45 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.464 1.102 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.6 t -142.92 148.56 46.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 109.97 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 159.18 41.58 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.544 1.813 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.855 ' O ' HG21 ' A' ' 15' ' ' THR . 0.5 OUTLIER -138.6 99.62 3.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.542 1.151 . . . . 0.0 109.239 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.575 ' O ' HG12 ' A' ' 11' ' ' VAL . 45.8 t -119.72 36.24 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -75.63 161.35 29.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.07 -61.37 1.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.242 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.52 -60.9 1.02 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.855 HG21 ' O ' ' A' ' 10' ' ' ASP . 4.1 m -47.2 -43.6 21.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.466 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.712 ' O ' HG22 ' A' ' 20' ' ' VAL . 77.0 mt -67.7 -68.82 0.36 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.484 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -40.1 -30.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.433 ' N ' ' C ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -64.13 -57.1 10.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.272 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -60.71 -67.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.712 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -39.79 -37.15 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.43 1.081 . . . . 0.0 109.349 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 19.4 tptt -74.6 -49.85 20.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -45.64 -42.69 11.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.275 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.3 t -78.72 -45.93 24.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.097 . . . . 0.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.49 ' O ' ' CG1' ' A' ' 27' ' ' VAL . 1.1 mt -117.9 90.31 36.39 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -43.5 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.413 1.744 . . . . 0.0 111.028 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.471 ' NE2' HD23 ' A' ' 24' ' ' LEU . 2.1 p-80 -41.06 -63.86 0.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.423 1.077 . . . . 0.0 109.536 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.777 HG13 HD11 ' A' ' 32' ' ' ILE . 2.5 p -43.29 143.05 1.49 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.245 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.693 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.1 Cg_endo -75.09 155.48 42.53 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.427 1.751 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.2 mt -79.1 -24.82 43.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -66.99 -42.51 92.61 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.4 p -73.9 -47.34 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.777 HD11 HG13 ' A' ' 27' ' ' VAL . 23.8 mt -48.86 -46.06 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -53.82 -29.19 39.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 110.268 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.18 -49.47 7.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -49.17 -43.76 42.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.569 HD13 ' HB2' ' A' ' 16' ' ' LEU . 79.1 mt -58.97 -39.03 80.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.09 -23.06 66.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.675 ' CD ' HG13 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -75.48 -43.59 48.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.572 1.17 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.482 ' HB ' HD23 ' A' ' 44' ' ' LEU . 49.5 p -118.59 -70.06 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.397 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.442 ' N ' ' OG1' ' A' ' 39' ' ' THR . . . 102.47 18.06 17.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.489 1.118 . . . . 0.0 110.948 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.439 ' CB ' ' HB2' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -127.41 111.91 14.39 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.638 HG13 HD22 ' A' ' 16' ' ' LEU . 18.6 m -42.52 -53.27 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.465 ' N ' HG23 ' A' ' 42' ' ' VAL . 25.5 t0 -53.85 -58.3 7.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.098 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.482 HD23 ' HB ' ' A' ' 39' ' ' THR . 0.8 OUTLIER -46.22 -57.46 4.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 49' ' ' LEU . 51.7 m -38.78 -56.47 1.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.415 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.444 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.6 mt -46.86 -49.79 6.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -67.41 -50.33 59.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.486 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.518 ' OD1' ' HB3' ' A' ' 53' ' ' ALA . 2.0 m-80 -56.18 -25.26 46.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.232 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 45' ' ' THR . 8.5 mt -81.68 -57.23 3.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.69 -57.8 10.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.37 -90.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 142.5 63.91 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.396 1.06 . . . . 0.0 111.042 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.518 ' HB3' ' OD1' ' A' ' 48' ' ' ASN . . . -90.32 -100.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.675 HG13 ' CD ' ' A' ' 38' ' ' LYS . 80.5 t 65.56 125.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 54' ' ' VAL . . . 69.61 77.68 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.495 ' CD1' ' O ' ' A' ' 56' ' ' PHE . 43.2 t80 -85.06 -5.95 59.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.444 1.09 . . . . 0.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.1 mtt 41.38 91.84 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 104.13 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.792 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 2.8 mm-40 -63.7 154.88 31.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.075 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 59' ' ' GLU . 21.0 t0 78.46 128.66 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.305 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.5 p -173.09 86.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.99 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 p -71.05 148.92 47.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.024 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.03 105.79 1.3 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.124 . . . . 0.0 111.082 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 7' ' ' GLY . 62.1 p -123.09 92.27 3.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 0.747 . . . . 0.0 110.047 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.68 -65.76 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.036 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 5' ' ' SER . . . -165.45 116.06 0.67 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 m -116.82 150.25 45.46 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.44 0.729 . . . . 0.0 110.023 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 59.54 5.25 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.501 1.79 . . . . 0.0 110.985 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -115.46 100.03 7.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.627 ' O ' HG12 ' A' ' 11' ' ' VAL . 61.5 t -129.53 39.85 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -82.52 2.2 34.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.386 1.054 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -43.3 -54.32 4.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.138 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.14 -60.98 2.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.6 m -43.62 -39.18 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.376 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.701 ' O ' HG22 ' A' ' 20' ' ' VAL . 61.5 mt -74.66 -60.44 2.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.545 ' HB1' HD22 ' A' ' 29' ' ' LEU . . . -40.12 -30.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.439 ' N ' ' C ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -63.62 -58.26 7.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 22' ' ' GLU . 2.4 mpt_? -59.46 -68.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.701 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -39.8 -36.99 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.51 1.131 . . . . 0.0 109.398 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 17.9 tptt -75.54 -50.53 15.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -41.39 -45.58 3.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.9 t -76.22 -45.32 35.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.928 HD13 HD13 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -119.55 90.11 42.21 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.399 1.062 . . . . 0.0 109.298 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -37.55 2.01 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.44 1.758 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.452 ' CD2' ' H ' ' A' ' 27' ' ' VAL . 3.4 p-80 -44.57 -70.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.642 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.73 HG13 HD11 ' A' ' 32' ' ' ILE . 2.5 p -41.44 142.99 0.9 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.351 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.689 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.2 Cg_endo -75.04 164.49 33.19 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.524 1.802 . . . . 0.0 110.974 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.545 HD22 ' HB1' ' A' ' 17' ' ' ALA . 33.5 mt -81.64 -39.07 24.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.69 -46.67 66.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.424 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 0.8 OUTLIER -70.33 -44.52 77.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 0.733 . . . . 0.0 109.271 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.73 HD11 HG13 ' A' ' 27' ' ' VAL . 16.1 mt -53.07 -55.6 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -54.19 -45.15 72.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.46 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -65.71 -38.13 88.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -65.28 -50.04 67.24 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.117 . . . . 0.0 109.257 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' GLY . 10.4 mt -48.74 -39.1 23.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -53.44 -39.86 64.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.669 ' HG3' HG13 ' A' ' 54' ' ' VAL . 0.3 OUTLIER -53.72 -27.11 26.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.8 p -142.31 -84.59 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.173 . . . . 0.0 110.437 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 119.34 39.8 0.66 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.536 1.147 . . . . 0.0 111.068 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -153.12 120.79 6.0 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.599 HG12 HG13 ' A' ' 20' ' ' VAL . 29.7 m -50.28 -54.2 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.242 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.514 ' N ' HG23 ' A' ' 42' ' ' VAL . 13.9 t0 -47.33 -35.02 7.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.5 mp -81.11 -32.72 33.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 42' ' ' VAL . 18.5 m -72.98 -61.11 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.389 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.516 HD12 HD11 ' A' ' 24' ' ' LEU . 6.2 tp -41.05 -42.78 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 51' ' ' GLU . 3.3 m -72.6 -53.69 11.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.393 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -49.78 -26.49 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.928 HD13 HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -66.75 -46.85 74.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.414 ' HG ' ' N ' ' A' ' 51' ' ' GLU . 2.8 tp -89.73 -66.79 0.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 47' ' ' THR . 0.2 OUTLIER -43.1 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.41 77.52 0.93 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -103.89 -100.43 0.3 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 0.751 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.669 HG13 ' HG3' ' A' ' 38' ' ' LYS . 63.6 t 65.23 136.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.351 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.49 158.86 27.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.479 ' CD1' ' O ' ' A' ' 56' ' ' PHE . 42.4 t80 -98.56 -6.31 30.34 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 42.68 91.19 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 111.041 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 176.82 9.39 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.454 1.765 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -109.48 154.77 22.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.41 99.6 3.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.1 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -114.24 152.83 30.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 0.803 . . . . 0.0 109.972 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 m 70.2 -69.65 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.589 1.181 . . . . 0.0 109.998 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.37 121.03 0.8 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t -102.54 -56.0 2.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 0.793 . . . . 0.0 109.961 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.75 114.87 4.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.961 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.35 -112.79 0.54 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.538 1.149 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.5 m -159.36 88.01 2.08 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.551 0.795 . . . . 0.0 109.975 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 124.91 9.0 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.456 1.766 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -159.4 133.43 7.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.348 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.9 t -142.66 40.96 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 13' ' ' LEU . 46.7 mm-40 -86.87 151.42 23.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.269 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.525 HD22 ' HG2' ' A' ' 33' ' ' GLN . 0.3 OUTLIER -40.5 -49.62 2.91 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.467 1.105 . . . . 0.0 109.357 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.14 -58.49 6.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.2 m -52.79 -30.07 31.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.454 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.744 HD22 HG13 ' A' ' 42' ' ' VAL . 65.8 mt -74.1 -67.16 0.64 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.492 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -40.0 -30.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.441 ' N ' ' C ' ' A' ' 16' ' ' LEU . 24.4 mt-30 -61.7 -62.2 1.97 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -55.0 -68.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.682 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -40.52 -37.59 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 28.2 tptt -72.23 -49.08 37.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 19' ' ' ARG . 6.1 mm-40 -50.62 -25.12 3.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.257 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.0 t -96.11 -42.07 11.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.56 1.162 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.404 HD13 HD13 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -118.8 90.31 40.12 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -44.81 0.32 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.463 1.77 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -42.72 -69.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.597 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.675 HG23 ' HD2' ' A' ' 28' ' ' PRO . 2.6 p -46.07 142.81 3.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.675 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.3 Cg_endo -74.93 162.76 36.72 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.505 1.792 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.1 mt -77.34 -43.53 32.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.352 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -47.28 -54.51 10.05 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.554 1.159 . . . . 0.0 111.031 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.462 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.4 p -63.15 -47.61 91.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.794 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.462 ' N ' ' CG1' ' A' ' 31' ' ' VAL . 21.6 mt -44.45 -52.61 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.525 ' HG2' HD22 ' A' ' 13' ' ' LEU . 26.3 mt-30 -53.12 -48.41 67.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.92 -45.32 95.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -58.69 -28.96 66.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.545 HD22 HD13 ' A' ' 16' ' ' LEU . 4.0 mt -72.98 -48.36 37.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.11 -31.04 40.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.746 ' HG2' HG13 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -55.11 -32.2 61.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.347 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.3 p -135.92 -84.51 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.44 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.89 42.18 0.27 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.415 1.072 . . . . 0.0 111.019 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -160.32 120.14 2.83 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.744 HG13 HD22 ' A' ' 16' ' ' LEU . 28.5 m -49.29 -54.94 4.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.529 ' N ' HG23 ' A' ' 42' ' ' VAL . 5.4 t70 -48.44 -33.17 8.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.4 mp -81.28 -52.65 7.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 109.259 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.485 HG22 HD12 ' A' ' 49' ' ' LEU . 19.5 m -55.77 -57.83 10.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.406 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.1 tt -41.34 -39.74 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.8 m -77.37 -60.82 2.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.499 ' OD1' ' HB3' ' A' ' 53' ' ' ALA . 16.7 m-20 -45.36 -28.01 0.78 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.485 HD12 HG22 ' A' ' 45' ' ' THR . 0.2 OUTLIER -55.87 -62.28 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 mt -86.48 -63.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.77 -78.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.331 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 133.16 118.7 1.95 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.493 1.12 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.499 ' HB3' ' OD1' ' A' ' 48' ' ' ASN . . . -171.24 81.89 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 0.771 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.746 HG13 ' HG2' ' A' ' 38' ' ' LYS . 71.6 t -134.96 128.09 49.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -137.55 123.09 19.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -66.58 143.22 57.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.9 115.6 60.63 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 172.09 17.03 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.459 1.768 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.38 156.37 45.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.329 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 178.42 117.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mm . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.132 . . . . 0.0 109.262 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m 62.44 98.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 0.0 109.999 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.2 t -90.94 109.85 21.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.105 . . . . 0.0 109.97 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.25 -161.61 0.7 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.411 1.07 . . . . 0.0 111.053 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -88.48 110.35 20.78 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 0.771 . . . . 0.0 109.972 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.1 t -164.74 -58.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.427 1.079 . . . . 0.0 109.974 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.43 67.08 0.42 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.22 94.74 32.23 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.544 0.791 . . . . 0.0 110.005 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 103.62 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.465 1.771 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.58 111.0 11.83 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.2 t -115.45 41.17 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -79.03 2.46 20.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.258 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -43.63 -43.04 5.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.17 -59.89 4.14 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.8 m -48.3 -35.16 11.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.41 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.661 ' O ' HG22 ' A' ' 20' ' ' VAL . 21.6 mt -65.42 -62.34 1.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -40.2 -29.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.442 ' N ' ' C ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -61.6 -62.14 2.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.7 OUTLIER -54.92 -68.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.276 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.661 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -40.4 -39.28 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.561 1.163 . . . . 0.0 109.347 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -71.38 -49.74 39.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.9 OUTLIER -42.63 -32.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.593 1.183 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.1 t -86.72 -44.08 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.909 HD13 HD13 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -124.73 90.24 51.24 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -36.33 2.57 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 0.0 110.928 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.404 ' CD2' ' H ' ' A' ' 27' ' ' VAL . 4.3 p-80 -49.3 -63.31 1.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.66 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.703 HG23 ' HD2' ' A' ' 28' ' ' PRO . 2.5 p -43.54 143.05 1.63 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.578 1.174 . . . . 0.0 109.255 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.703 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.1 Cg_endo -75.03 171.63 17.95 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.506 1.793 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.9 mt -90.01 -44.55 9.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.69 -23.72 7.05 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 0.8 OUTLIER -93.44 -44.28 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 109.322 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.697 HD12 ' O ' ' A' ' 28' ' ' PRO . 17.3 mt -53.17 -50.58 45.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -57.73 -58.66 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -36.63 68.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.46 -40.38 89.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 40' ' ' GLY . 22.3 mt -62.82 -36.31 82.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.86 -27.88 68.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -66.83 -36.2 81.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.372 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.3 p -125.6 -77.41 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 114.32 21.61 5.47 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.2 m -128.39 103.99 7.46 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.545 HG12 HG13 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -41.37 -41.61 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -59.12 5.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 mp -43.92 -53.47 6.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.242 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.3 m -42.32 -59.89 1.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 110.364 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.509 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.6 mt -40.41 -53.11 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 50' ' ' LEU . 1.5 m -67.16 -50.85 59.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.317 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -45.24 -49.7 12.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.909 HD13 HD13 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -49.16 -36.3 19.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 47' ' ' THR . 4.1 mt -86.4 -65.26 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.03 -89.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.234 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 128.96 51.84 0.12 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.464 1.103 . . . . 0.0 111.073 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.34 -100.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 0.737 . . . . 0.0 109.322 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.0 t 66.13 122.69 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -49.22 122.63 6.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.365 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.501 ' CD1' ' O ' ' A' ' 56' ' ' PHE . 44.4 t80 -74.65 -5.21 41.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.98 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.9 mtt 39.98 90.82 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 129.16 12.04 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.788 . . . . 0.0 110.991 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 4.7 tt0 -41.32 152.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 59' ' ' GLU . 23.8 t0 78.53 128.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 70.6 -63.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 110.0 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 m 62.52 147.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.013 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.52 92.69 1.74 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.0 p -98.36 111.9 24.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 0.814 . . . . 0.0 110.046 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.8 m 62.54 131.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.01 108.8 2.79 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 63.7 p -167.16 150.11 5.91 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.548 0.793 . . . . 0.0 110.017 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 79.96 2.55 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -177.57 139.75 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.551 ' O ' HG12 ' A' ' 11' ' ' VAL . 42.0 t -94.05 37.09 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.537 ' O ' HD12 ' A' ' 16' ' ' LEU . 3.0 tt0 58.07 164.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.614 HD23 HD12 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -87.26 -54.11 4.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.81 -55.05 2.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.402 ' O ' ' CB ' ' A' ' 18' ' ' GLN . 98.9 m -58.79 -64.33 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.153 . . . . 0.0 110.459 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.82 ' O ' HG22 ' A' ' 20' ' ' VAL . 66.9 mt -45.61 -64.67 0.68 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.484 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -39.94 -37.04 0.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.402 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -62.08 -51.15 69.1 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.414 1.071 . . . . 0.0 110.337 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.8 OUTLIER -66.21 -68.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.338 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.876 HG13 HG12 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -39.93 -41.3 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.578 1.174 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 19.5 tptt -71.26 -48.22 52.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.087 . . . . 0.0 109.385 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.7 OUTLIER -47.74 -41.7 23.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.7 t -74.22 -40.66 50.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 21' ' ' LYS . 13.1 mt -132.54 90.64 32.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -23.31 13.91 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.448 1.762 . . . . 0.0 111.038 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -54.73 -61.89 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.549 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.854 HG13 HD11 ' A' ' 32' ' ' ILE . 2.5 p -50.89 143.02 15.94 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.79 ' O ' HD12 ' A' ' 32' ' ' ILE . 18.0 Cg_endo -75.11 165.5 31.03 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.471 1.774 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.452 ' CD2' ' HB1' ' A' ' 17' ' ' ALA . 17.7 mt -81.76 -41.59 20.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -49.42 -44.15 35.85 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.4 p -73.93 -47.62 42.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.466 0.744 . . . . 0.0 109.263 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.854 HD11 HG13 ' A' ' 27' ' ' VAL . 14.7 mt -52.11 -50.48 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.25 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.507 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 37.5 mt-30 -50.95 -39.82 55.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -42.77 37.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.09 -35.24 69.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.614 HD12 HD23 ' A' ' 13' ' ' LEU . 39.7 mt -64.36 -51.49 63.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.345 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.4 -22.61 54.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.684 ' CG ' HG13 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -66.64 -32.72 74.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.9 p -139.23 -76.75 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.397 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.52 35.16 1.21 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.569 1.168 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.3 m -146.14 109.15 4.61 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.876 HG12 HG13 ' A' ' 20' ' ' VAL . 15.9 m -40.71 -54.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.479 ' N ' HG23 ' A' ' 42' ' ' VAL . 8.5 t0 -45.05 -46.06 11.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 41' ' ' CYS . 4.1 mp -65.8 -51.74 56.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.0 m -46.3 -49.29 17.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 110.375 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.449 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.6 mt -49.18 -53.78 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.356 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 m -65.64 -49.99 66.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.442 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -43.95 -39.59 4.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.093 . . . . 0.0 109.251 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.674 HD21 HG21 ' A' ' 27' ' ' VAL . 27.4 mt -64.69 -51.17 63.88 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -48.8 -67.21 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.142 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -92.77 -83.62 0.3 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -169.29 -77.67 0.04 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.489 1.118 . . . . 0.0 110.956 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 57.77 70.76 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.317 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.684 HG13 ' CG ' ' A' ' 38' ' ' LYS . 68.7 t -129.51 124.08 58.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.28 82.53 7.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -43.48 152.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.05 151.96 62.43 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 111.019 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.413 ' O ' HG23 ' A' ' 61' ' ' ILE . 18.3 Cg_endo -74.93 165.04 32.23 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.485 1.781 . . . . 0.0 111.064 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -102.54 167.03 10.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 45.4 t0 54.85 29.0 11.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.413 HG23 ' O ' ' A' ' 58' ' ' PRO . 1.9 pp . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 p -70.51 101.32 1.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.788 . . . . 0.0 109.969 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -106.49 165.45 11.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 110.02 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.97 -87.58 0.1 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.575 1.172 . . . . 0.0 110.97 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.9 p -157.63 79.99 0.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 0.723 . . . . 0.0 109.974 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.5 t -170.51 132.01 0.95 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 109.951 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.96 70.82 2.48 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.79 150.08 0.12 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.048 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 99.06 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 110.97 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -111.37 104.3 12.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.507 ' O ' HG12 ' A' ' 11' ' ' VAL . 37.5 t -90.88 40.88 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -59.53 157.75 10.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.488 ' CD2' HD13 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -48.53 -40.66 27.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.233 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.61 -46.62 77.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 39.0 m -63.98 -12.37 37.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.431 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.88 ' O ' HG22 ' A' ' 20' ' ' VAL . 76.1 mt -92.48 -65.09 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.495 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . . . -48.3 -36.45 14.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -62.6 -38.38 89.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -78.59 -68.39 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.311 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.88 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -40.47 -40.07 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.606 1.191 . . . . 0.0 109.367 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.477 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 34.7 tptt -67.71 -49.18 64.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.241 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -53.73 -45.87 70.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.2 t -70.91 -37.54 68.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.765 HD13 HD13 ' A' ' 49' ' ' LEU . 11.3 mt -134.58 90.6 23.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -31.47 6.21 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.438 1.757 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -47.27 -67.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.587 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.868 HG13 HD11 ' A' ' 32' ' ' ILE . 2.5 p -45.81 142.93 3.45 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.382 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.687 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.2 Cg_endo -74.92 158.65 42.37 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.432 1.754 . . . . 0.0 110.968 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.8 mt -73.82 -40.38 63.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -48.74 -55.39 11.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.549 1.156 . . . . 0.0 111.05 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.48 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 2.0 p -65.55 -49.42 78.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.477 0.751 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.868 HD11 HG13 ' A' ' 27' ' ' VAL . 41.6 mt -44.02 -46.36 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -56.26 -45.0 80.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -58.12 3.79 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.519 1.137 . . . . 0.0 110.238 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.3 -27.7 1.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.488 HD13 ' CD2' ' A' ' 13' ' ' LEU . 13.4 mt -73.77 -55.41 6.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.51 -29.15 15.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.358 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.431 ' HG2' HG13 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -58.88 -44.08 91.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.2 p -119.74 -70.71 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.369 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 110.95 12.97 14.58 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.12 . . . . 0.0 111.079 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.48 ' HB2' HD22 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -127.16 112.24 14.92 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.471 HG23 ' N ' ' A' ' 43' ' ' ASP . 15.9 m -41.23 -54.48 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.471 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -47.23 -54.45 10.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.534 1.147 . . . . 0.0 109.275 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.539 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 7.8 mp -53.93 -45.02 71.12 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.462 1.102 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 49.6 m -56.42 -51.54 67.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 110.351 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.521 ' HA ' HD12 ' A' ' 49' ' ' LEU . 1.6 mt -41.18 -42.62 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 m -82.73 -48.7 10.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.39 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.539 ' ND2' ' O ' ' A' ' 44' ' ' LEU . 4.3 m120 -46.17 -40.06 10.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.765 HD13 HD13 ' A' ' 24' ' ' LEU . 4.6 mt -52.85 -53.31 50.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.6 mt -76.66 -67.82 0.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.35 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.19 -85.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.345 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 158.34 -89.39 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 50.8 80.97 0.07 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.459 0.74 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.431 HG13 ' HG2' ' A' ' 38' ' ' LYS . 64.2 t -136.23 129.37 46.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -137.21 137.06 38.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -62.52 155.79 24.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.47 153.01 27.32 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 157.24 42.6 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.475 1.777 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.431 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 17.3 pt-20 -110.16 137.55 47.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.336 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 59' ' ' GLU . 6.1 t0 77.29 128.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.238 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.5 pt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 p -126.26 104.86 8.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.969 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 m -161.81 159.86 27.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.38 122.23 1.05 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.16 101.66 7.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 0.777 . . . . 0.0 110.003 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.0 t 61.74 140.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.02 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.23 93.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.437 1.086 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.6 p 178.33 150.26 0.42 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.483 0.755 . . . . 0.0 110.014 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -179.78 5.33 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.504 ' O ' HG21 ' A' ' 15' ' ' THR . 1.2 t0 179.71 129.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.355 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.579 ' CG1' HD21 ' A' ' 16' ' ' LEU . 39.2 t -111.86 41.13 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -63.24 167.37 5.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.412 1.07 . . . . 0.0 110.219 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.96 -57.17 10.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.03 -58.16 3.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.504 HG21 ' O ' ' A' ' 10' ' ' ASP . 18.8 m -51.4 -40.54 59.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.406 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.889 ' O ' HG22 ' A' ' 20' ' ' VAL . 60.0 mt -68.42 -63.48 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.492 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . . . -40.48 -29.96 0.1 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.436 ' N ' ' C ' ' A' ' 16' ' ' LEU . 0.9 OUTLIER -62.31 -74.22 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -43.57 -66.69 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.889 HG22 ' O ' ' A' ' 16' ' ' LEU . 2.0 m -40.19 -42.59 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -69.97 -46.61 64.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 109.272 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -49.65 -37.66 29.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.7 t -82.0 -32.58 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.557 ' HB3' ' CE1' ' A' ' 26' ' ' HIS . 0.7 OUTLIER -135.15 87.27 29.17 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.03 -25.71 11.56 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.538 1.809 . . . . 0.0 110.949 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.557 ' CE1' ' HB3' ' A' ' 24' ' ' LEU . 4.5 p80 -58.5 -57.24 13.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.636 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.682 HG23 ' HD2' ' A' ' 28' ' ' PRO . 2.6 p -49.45 142.8 10.93 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.682 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.1 Cg_endo -75.08 161.62 38.25 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.463 1.77 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.408 ' HA ' HD12 ' A' ' 32' ' ' ILE . 13.3 mt -81.47 -31.08 33.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.83 -45.82 95.73 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.453 1.095 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.445 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.4 p -67.81 -47.35 79.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.386 0.698 . . . . 0.0 109.361 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.542 HD11 HG13 ' A' ' 27' ' ' VAL . 52.3 mt -52.43 -57.74 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -38.93 -31.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.411 ' N ' ' C ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -89.51 -54.69 3.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 110.307 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.92 -29.09 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 32.6 mt -70.69 -54.32 12.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.237 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.7 -21.25 10.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.098 . . . . 0.0 109.213 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.419 ' CG ' HG13 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -62.2 -55.11 31.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.411 1.069 . . . . 0.0 109.374 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.4 p -118.1 -70.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.405 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.89 28.84 3.51 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.2 m -133.85 110.87 10.05 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.636 HG13 HD22 ' A' ' 16' ' ' LEU . 10.0 m -42.91 -49.93 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.99 -43.45 73.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 41' ' ' CYS . 8.1 mp -64.94 -50.47 66.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.356 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.591 HG21 HG11 ' A' ' 20' ' ' VAL . 4.0 m -41.89 -51.67 4.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.481 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.6 mt -43.67 -61.29 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.264 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.8 m -56.88 -54.19 49.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.39 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.679 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 2.6 m-20 -43.1 -49.99 6.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.513 HD11 HG21 ' A' ' 27' ' ' VAL . 13.3 mt -64.87 -44.8 88.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.25 -66.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -100.42 -84.75 0.42 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.459 1.099 . . . . 0.0 110.325 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -155.59 -73.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.57 1.169 . . . . 0.0 111.024 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.679 ' HB3' ' HA ' ' A' ' 48' ' ' ASN . . . 49.43 79.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 0.723 . . . . 0.0 109.236 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.419 HG13 ' CG ' ' A' ' 38' ' ' LYS . 67.4 t -134.97 131.36 52.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 109.275 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -113.25 87.5 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.602 1.189 . . . . 0.0 109.359 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -48.61 156.24 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 7.0 mmt -110.68 152.35 43.41 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -178.74 4.37 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.508 1.794 . . . . 0.0 110.996 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -118.81 165.49 13.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.1 p-10 -130.66 95.26 3.81 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.5 pp . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.1 t 64.64 110.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.514 0.773 . . . . 0.0 110.01 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.5 m -125.85 101.53 6.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.9 136.71 8.58 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.8 114.44 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 0.737 . . . . 0.0 109.941 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m 62.32 142.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.558 1.161 . . . . 0.0 110.013 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.48 -90.19 0.11 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.48 1.112 . . . . 0.0 111.028 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.7 m -142.32 93.23 7.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.546 0.792 . . . . 0.0 109.967 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 163.87 34.57 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.464 1.771 . . . . 0.0 111.027 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -177.52 143.94 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.483 HG12 HG21 ' A' ' 15' ' ' THR . 13.7 t -90.98 41.31 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.648 ' OE1' ' HB3' ' A' ' 14' ' ' ALA . 0.9 OUTLIER 61.93 164.45 0.09 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.472 1.108 . . . . 0.0 110.22 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 mt -87.97 -54.82 4.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.341 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.648 ' HB3' ' OE1' ' A' ' 12' ' ' GLN . . . -44.6 -61.29 1.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.483 HG21 HG12 ' A' ' 11' ' ' VAL . 1.5 m -39.16 -57.19 1.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.413 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.779 ' O ' HG22 ' A' ' 20' ' ' VAL . 47.0 mt -55.36 -54.87 38.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.495 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -39.94 -35.05 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.231 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -61.93 -54.71 38.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 22' ' ' GLU . 3.7 mtt-85 -62.29 -68.22 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 110.265 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.81 HG13 HG12 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -40.11 -42.39 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.753 ' HD3' HD21 ' A' ' 29' ' ' LEU . 4.0 tptm -65.51 -49.78 67.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 19' ' ' ARG . 1.7 tm-20 -48.19 -45.1 33.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.604 HG12 ' HG ' ' A' ' 24' ' ' LEU . 40.3 t -67.68 -44.24 86.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.604 ' HG ' HG12 ' A' ' 23' ' ' VAL . 12.2 mt -132.78 91.92 28.14 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -23.23 13.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.417 1.746 . . . . 0.0 110.977 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -58.97 -59.72 5.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.579 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.754 HG13 HD11 ' A' ' 32' ' ' ILE . 2.5 p -45.37 143.09 2.88 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.69 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.4 Cg_endo -74.95 167.43 27.07 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.544 1.812 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.753 HD21 ' HD3' ' A' ' 21' ' ' LYS . 43.5 mt -82.03 -48.56 11.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -44.37 -43.73 7.66 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.468 1.105 . . . . 0.0 111.07 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 0.8 OUTLIER -74.52 -48.63 34.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.552 0.795 . . . . 0.0 109.286 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.754 HD11 HG13 ' A' ' 27' ' ' VAL . 26.8 mt -48.54 -57.92 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -41.68 -50.02 4.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.31 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -58.75 3.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.43 1.081 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -40.61 -39.84 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.268 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 40' ' ' GLY . 41.4 mt -56.39 -60.79 3.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.19 -39.24 69.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.246 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.819 ' HG2' HG13 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -43.53 -50.06 7.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.883 HG21 ' OD1' ' A' ' 48' ' ' ASN . 22.0 p -110.74 -72.08 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.366 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 113.42 31.54 2.36 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 0.0 111.05 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -153.82 110.81 3.41 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.81 HG12 HG13 ' A' ' 20' ' ' VAL . 12.2 m -40.74 -50.39 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -56.0 -57.15 13.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 mp -48.91 -49.3 40.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.5 m -49.54 -57.28 7.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.4 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.454 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.5 mt -42.43 -52.03 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -67.8 -45.16 75.56 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.404 1.065 . . . . 0.0 110.409 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.883 ' OD1' HG21 ' A' ' 39' ' ' THR . 32.5 m120 -52.94 -37.63 61.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.433 1.083 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.2 mt -61.85 -59.48 5.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.269 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -54.17 -63.51 1.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -51.8 -75.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.27 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.81 65.03 0.47 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.425 1.078 . . . . 0.0 110.952 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.31 -99.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 109.354 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.819 HG13 ' HG2' ' A' ' 38' ' ' LYS . 92.2 t 65.27 129.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.01 124.9 21.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -100.49 168.15 9.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 111.041 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.69 112.99 12.98 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.932 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 104.47 1.91 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.456 1.766 . . . . 0.0 111.023 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 63.38 166.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 63.14 123.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 65.5 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 0.0 109.269 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t 63.54 99.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.98 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.7 t -143.69 124.12 13.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.996 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.89 -163.6 14.28 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.519 1.137 . . . . 0.0 111.046 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.84 166.51 11.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.764 . . . . 0.0 109.992 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.11 168.46 11.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.969 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.36 143.19 3.78 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.5 m -169.95 159.59 6.72 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.455 0.738 . . . . 0.0 110.022 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 56.06 4.14 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.369 1.721 . . . . 0.0 110.953 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t0 176.6 121.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.626 ' O ' HG12 ' A' ' 11' ' ' VAL . 61.4 t -111.64 38.06 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.22 2.17 25.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.605 1.191 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.433 HD23 HD13 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -50.53 -54.32 23.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.33 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.1 -58.13 3.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.1 m -48.93 -38.2 22.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.442 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.885 HD22 HG13 ' A' ' 42' ' ' VAL . 77.3 mt -71.25 -62.88 1.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.494 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -40.0 -32.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.415 ' N ' ' C ' ' A' ' 16' ' ' LEU . 7.2 mt-30 -61.73 -58.73 6.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -57.72 -68.03 0.28 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.725 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -40.77 -41.14 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 7.0 tptt -70.68 -46.0 63.99 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' ARG . 6.1 tt0 -56.78 -44.0 81.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.9 t -74.87 -38.68 44.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.354 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.2 mt -132.67 90.75 31.94 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -40.8 0.8 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -39.87 -67.6 0.22 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.557 1.161 . . . . 0.0 109.663 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.668 HG23 ' HD2' ' A' ' 28' ' ' PRO . 2.7 p -44.11 142.73 2.06 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.229 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.668 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.3 Cg_endo -75.0 170.02 21.34 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.468 1.773 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.3 mt -84.81 -45.58 12.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -46.67 -38.75 10.02 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.418 1.074 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.444 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.2 p -79.1 -46.3 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 109.239 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.547 HD11 HG13 ' A' ' 27' ' ' VAL . 40.3 mt -49.17 -58.14 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -48.73 -47.27 41.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.274 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.529 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 0.6 OUTLIER -64.94 -58.24 6.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 110.3 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 38' ' ' LYS . 6.9 t70 -45.6 -54.68 7.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 40' ' ' GLY . 19.0 mt -44.44 -53.57 6.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -40.74 -35.22 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 35' ' ' ASP . 3.7 mmmm -65.06 -53.59 43.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 36' ' ' LEU . 76.0 p -95.37 -74.46 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.444 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 89.41 35.83 7.79 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -160.06 111.02 1.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.885 HG13 HD22 ' A' ' 16' ' ' LEU . 26.9 m -40.46 155.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 42' ' ' VAL . 2.3 t70 81.5 -53.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.1 -34.78 68.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.357 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.5 m -69.56 -50.88 40.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.598 1.186 . . . . 0.0 110.431 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.3 mp -43.98 -68.23 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 51' ' ' GLU . 12.4 m -49.0 -52.34 25.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 1.074 . . . . 0.0 110.385 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -48.93 -39.83 27.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.89 -34.67 65.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.6 tp -93.86 -67.93 0.83 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' THR . 0.9 OUTLIER -64.99 -93.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.088 . . . . 0.0 110.294 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.43 -100.21 0.14 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.483 1.114 . . . . 0.0 111.049 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 54.53 65.36 1.52 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 0.771 . . . . 0.0 109.355 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.443 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 77.4 t -125.22 152.34 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 54' ' ' VAL . . . 178.84 147.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -72.23 151.44 42.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.43 152.22 49.47 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 111.069 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 158.08 42.62 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.526 1.803 . . . . 0.0 111.015 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.466 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER 55.32 167.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.466 ' CB ' ' O ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER 158.81 132.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.2 pt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.91 103.26 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 0.777 . . . . 0.0 110.02 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.9 p -93.07 151.96 19.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.958 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.02 146.45 16.56 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.12 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.75 79.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.983 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 40.67 84.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.03 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 39.01 92.12 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.448 1.092 . . . . 0.0 111.047 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.4 150.38 9.24 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.558 0.799 . . . . 0.0 109.954 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 85.76 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.782 . . . . 0.0 111.038 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -164.41 130.27 2.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.554 HG12 ' N ' ' A' ' 12' ' ' GLN . 36.9 t -126.12 -118.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.554 ' N ' HG12 ' A' ' 11' ' ' VAL . 43.3 mm-40 -119.55 151.77 38.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.252 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.45 HD21 ' HA ' ' A' ' 33' ' ' GLN . 0.1 OUTLIER -41.98 -61.47 1.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 109.326 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.09 -60.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.387 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.9 m -48.17 -46.71 34.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.389 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.844 ' O ' HG22 ' A' ' 20' ' ' VAL . 90.9 mt -63.82 -66.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.467 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -39.62 -39.86 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -60.58 -50.37 73.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 16' ' ' LEU . 54.5 mtt-85 -66.49 -68.28 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.844 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -40.08 -38.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.467 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 7.9 tptt -67.95 -52.89 30.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.365 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -42.77 -45.69 4.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.326 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.6 t -69.22 -48.63 67.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.356 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.667 ' O ' HG12 ' A' ' 27' ' ' VAL . 11.5 mt -123.73 90.78 50.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.363 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.401 ' HA ' ' HD2' ' A' ' 21' ' ' LYS . 18.3 Cg_endo -74.94 -21.4 16.04 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 110.995 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -62.09 -57.96 9.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.603 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 1.086 HG13 HD11 ' A' ' 32' ' ' ILE . 7.1 p -47.6 141.44 7.2 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.568 ' O ' HD12 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.92 163.31 35.71 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.479 1.778 . . . . 0.0 111.021 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 80.4 mt -79.28 -40.92 29.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.52 -44.16 45.96 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.459 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.2 p -75.44 -47.27 35.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.462 0.742 . . . . 0.0 109.255 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 1.086 HD11 HG13 ' A' ' 27' ' ' VAL . 41.7 mt -49.97 -45.25 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.45 ' HA ' HD21 ' A' ' 13' ' ' LEU . 61.8 mt-30 -56.93 -46.89 81.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.33 -56.87 7.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -45.41 -43.91 11.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 36' ' ' LEU . 14.5 mt -52.25 -58.74 5.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 109.243 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.21 -40.89 78.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.231 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.756 ' HG2' HG13 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -45.38 -30.4 1.32 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.403 ' HB ' HD23 ' A' ' 44' ' ' LEU . 5.6 p -134.16 -98.71 0.26 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.52 1.138 . . . . 0.0 110.454 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 137.82 44.83 0.08 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.112 . . . . 0.0 111.04 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -161.16 114.27 1.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.689 HG13 HD22 ' A' ' 16' ' ' LEU . 12.2 m -41.31 -50.38 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.12 -53.03 56.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.403 HD23 ' HB ' ' A' ' 39' ' ' THR . 6.2 mp -51.16 -54.09 28.58 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.46 HG21 HG11 ' A' ' 20' ' ' VAL . 52.0 m -43.1 -56.85 3.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 110.463 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.426 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.6 mt -44.26 -65.35 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 51' ' ' GLU . 5.6 m -53.6 -55.84 22.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 110.392 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.429 ' O ' ' N ' ' A' ' 52' ' ' GLY . 11.6 m120 -41.64 -49.24 4.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 43.6 mt -55.44 -59.23 5.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 mt -56.83 -66.02 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.365 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' THR . 0.1 OUTLIER -53.39 -78.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 48' ' ' ASN . . . 117.11 65.53 0.35 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.473 1.108 . . . . 0.0 110.954 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.54 -100.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.756 HG13 ' HG2' ' A' ' 38' ' ' LYS . 77.9 t 64.42 134.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.69 133.78 45.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.48 ' CD1' ' O ' ' A' ' 56' ' ' PHE . 46.1 t80 -85.72 -5.82 59.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 111.043 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.8 mtt 41.21 91.32 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 139.28 24.2 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.474 1.776 . . . . 0.0 111.028 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.1 144.09 24.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.255 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -168.27 110.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.8 128.19 54.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 0.783 . . . . 0.0 110.028 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.24 105.43 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.968 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.38 -176.84 28.95 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 111.058 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.68 117.52 34.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 0.795 . . . . 0.0 109.942 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.53 168.95 18.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.029 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.472 ' O ' ' CB ' ' A' ' 8' ' ' SER . . . -110.33 -74.17 0.76 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.493 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.1 OUTLIER 161.85 -51.73 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.461 0.742 . . . . 0.0 110.003 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 8' ' ' SER . 18.2 Cg_endo -75.02 89.89 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.397 1.735 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -102.93 97.54 7.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.432 ' O ' HG12 ' A' ' 11' ' ' VAL . 21.3 t -132.22 40.15 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.407 1.067 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -87.38 157.23 19.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.339 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.491 ' CD2' ' HA ' ' A' ' 33' ' ' GLN . 0.1 OUTLIER -40.45 -51.7 2.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.58 -60.48 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.8 m -51.32 -57.97 7.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.429 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.808 ' O ' HG22 ' A' ' 20' ' ' VAL . 66.9 mt -47.68 -65.83 0.5 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.479 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -39.83 -37.9 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.92 -52.64 64.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.588 1.18 . . . . 0.0 110.289 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 22' ' ' GLU . 15.9 mmt-85 -63.98 -68.33 0.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.344 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.808 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -40.17 -39.56 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.52 1.138 . . . . 0.0 109.36 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 29.0 tptt -67.8 -49.94 59.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.087 . . . . 0.0 109.273 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 19' ' ' ARG . 13.2 mm-40 -45.69 -47.17 15.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.353 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.445 HG12 ' HG ' ' A' ' 24' ' ' LEU . 72.8 t -69.52 -46.96 74.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.445 ' HG ' HG12 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -122.85 90.66 50.04 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -41.22 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.505 1.792 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -41.18 -62.81 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.646 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.817 HG13 HD11 ' A' ' 32' ' ' ILE . 2.9 p -49.62 142.65 11.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.684 ' O ' HD12 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.98 163.04 36.16 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.447 1.762 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 23.7 mt -79.48 -39.66 31.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.355 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.27 -47.41 42.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.54 1.15 . . . . 0.0 111.058 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.7 p -71.95 -48.97 47.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.48 0.753 . . . . 0.0 109.367 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.817 HD11 HG13 ' A' ' 27' ' ' VAL . 14.6 mt -45.51 -51.03 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.491 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 65.2 mt-30 -45.5 -62.02 1.45 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 110.279 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.418 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -60.52 -40.44 91.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.242 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -57.65 -36.78 72.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.513 HD21 HG11 ' A' ' 20' ' ' VAL . 65.2 mt -66.0 -24.48 66.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -78.3 -32.56 49.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.421 ' CB ' HG13 ' A' ' 54' ' ' VAL . 0.4 OUTLIER -62.62 -45.88 90.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.2 p -102.74 -80.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.386 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.79 23.35 6.23 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.523 1.14 . . . . 0.0 111.038 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -150.52 111.51 4.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.557 HG12 HG13 ' A' ' 20' ' ' VAL . 13.3 m -41.2 -51.58 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.423 ' N ' HG23 ' A' ' 42' ' ' VAL . 8.2 t0 -53.99 -54.03 44.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.356 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 tp -54.6 -50.46 68.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.235 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.476 HG22 HD12 ' A' ' 49' ' ' LEU . 90.4 m -42.94 -57.33 2.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.346 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mt -50.03 -67.66 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 50' ' ' LEU . 1.1 m -47.82 -61.21 2.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.098 . . . . 0.0 110.443 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -46.27 -41.47 13.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.476 HD12 HG22 ' A' ' 45' ' ' THR . 5.2 mt -65.0 -37.35 87.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.397 1.061 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.735 ' C ' HD12 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -64.47 -68.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -55.52 -31.74 62.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.57 58.84 2.98 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.542 1.151 . . . . 0.0 111.059 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.0 -100.35 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 109.367 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.438 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 66.4 t 65.83 142.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 54' ' ' VAL . . . 68.45 92.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.26 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -83.81 159.03 21.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.29 153.4 39.67 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 111.071 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 119.91 5.85 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.528 1.804 . . . . 0.0 111.063 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -71.39 162.55 29.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -140.57 29.01 1.96 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 29.9 mm . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -168.59 -58.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 0.731 . . . . 0.0 110.012 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.2 p -64.89 170.22 4.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.997 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.14 -132.74 11.42 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.91 116.1 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 0.0 110.003 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.0 t -52.15 -54.76 26.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 0.0 110.025 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.0 71.12 0.36 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.476 1.11 . . . . 0.0 111.029 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.47 148.53 85.9 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.467 0.745 . . . . 0.0 109.971 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 61.48 5.69 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.421 1.748 . . . . 0.0 111.001 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.0 p30 -115.07 99.92 7.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.644 ' O ' HG12 ' A' ' 11' ' ' VAL . 83.0 t -109.81 39.16 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 16' ' ' LEU . 1.4 mt-30 -80.18 2.11 25.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.348 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.489 HD23 HD12 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -52.42 -56.2 16.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.89 -62.06 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.0 m -52.01 -29.06 19.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.418 1.074 . . . . 0.0 110.354 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.785 ' O ' HG22 ' A' ' 20' ' ' VAL . 28.9 mt -76.22 -64.52 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.546 ' O ' HG23 ' A' ' 20' ' ' VAL . . . -40.24 -29.97 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.434 ' N ' ' C ' ' A' ' 16' ' ' LEU . 23.8 mt-30 -61.79 -74.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.289 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 20' ' ' VAL . 3.9 mtt85 -41.16 -66.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.785 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.9 OUTLIER -39.49 -68.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 109.284 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.699 ' H ' HG23 ' A' ' 20' ' ' VAL . 22.8 tptt -47.9 -43.2 28.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -52.25 -43.91 64.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.443 1.09 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.6 t -77.5 -41.37 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.35 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.681 HD13 HD13 ' A' ' 49' ' ' LEU . 16.4 mt -130.26 91.8 37.68 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.24 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.408 ' HA ' ' HG3' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -75.0 -33.21 4.76 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.498 1.788 . . . . 0.0 110.977 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -42.45 -58.28 2.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.593 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.783 HG11 HD11 ' A' ' 49' ' ' LEU . 3.6 p -56.36 142.37 68.63 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.629 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.3 Cg_endo -74.96 161.05 39.51 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.803 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.8 mt -79.2 -35.3 41.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.413 1.071 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.79 -49.48 70.36 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.559 1.162 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.3 p -64.82 -46.25 92.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.721 HD11 HG13 ' A' ' 27' ' ' VAL . 40.6 mt -53.44 -57.95 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -41.51 -38.36 1.29 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.334 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.86 -50.77 9.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.248 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.62 -28.33 20.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.489 HD12 HD23 ' A' ' 13' ' ' LEU . 18.0 mt -63.88 -53.63 47.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.33 -32.4 68.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.763 ' HG2' HG13 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -53.29 -36.32 61.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.4 p -134.81 -78.55 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.429 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.32 33.08 1.52 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -141.68 108.11 5.3 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.744 HG13 HD22 ' A' ' 16' ' ' LEU . 18.2 m -40.78 -56.49 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.513 ' N ' HG23 ' A' ' 42' ' ' VAL . 35.2 t0 -45.89 -48.36 16.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.2 mp -58.8 -56.54 20.85 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.45 1.093 . . . . 0.0 109.316 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.0 m -43.68 -57.16 3.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.456 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mt -42.24 -58.27 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.093 . . . . 0.0 109.309 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.4 HG22 ' HB2' ' A' ' 51' ' ' GLU . 8.6 m -63.65 -59.46 4.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 110.44 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.428 ' CG ' ' HB3' ' A' ' 53' ' ' ALA . 9.5 m-20 -40.73 -40.46 1.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.783 HD11 HG11 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -40.54 -60.26 1.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.263 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 mt -88.79 -65.56 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.4 ' HB2' HG22 ' A' ' 47' ' ' THR . 0.1 OUTLIER -39.01 -60.11 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.15 117.91 4.4 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.428 ' HB3' ' CG ' ' A' ' 48' ' ' ASN . . . -156.87 79.57 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 0.789 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.763 HG13 ' HG2' ' A' ' 38' ' ' LYS . 79.2 t -134.04 131.75 55.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -114.21 130.74 56.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.485 ' CD1' ' O ' ' A' ' 56' ' ' PHE . 42.6 t80 -89.02 -6.0 57.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.9 mmt 39.92 92.58 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.401 1.063 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 169.29 22.93 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.54 1.81 . . . . 0.0 111.073 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 1.0 OUTLIER -124.81 155.36 39.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.397 1.061 . . . . 0.0 110.242 -179.913 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.446 ' CB ' ' O ' ' A' ' 59' ' ' GLU . 5.9 t70 78.08 128.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 44.0 mm . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.3 p -129.71 -58.51 1.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 110.019 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.25 163.49 13.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.034 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.02 -157.24 27.87 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 57.84 103.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 0.735 . . . . 0.0 110.016 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 m 58.62 110.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.99 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.03 -112.31 3.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.92 91.74 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.771 . . . . 0.0 109.996 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 135.63 19.25 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.502 1.791 . . . . 0.0 110.959 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 11' ' ' VAL . 9.8 t70 -170.12 133.55 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.796 ' O ' HG12 ' A' ' 11' ' ' VAL . 53.2 t 36.66 41.76 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -100.76 177.89 4.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.646 HD23 HD13 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -50.64 -46.06 58.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.26 -55.63 29.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.4 m -46.67 -35.79 6.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.342 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.753 ' O ' HG22 ' A' ' 20' ' ' VAL . 51.5 mt -72.12 -63.9 1.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.47 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -40.12 -30.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.442 ' N ' ' C ' ' A' ' 16' ' ' LEU . 41.5 mm-40 -66.14 -53.72 34.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -64.78 -67.14 0.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.428 1.08 . . . . 0.0 110.301 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.753 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -39.86 -37.19 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.595 ' HZ3' ' HG ' ' A' ' 29' ' ' LEU . 5.4 tptm -77.71 -53.12 7.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.38 -42.4 10.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 110.322 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.8 t -77.23 -43.82 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.682 HD13 HD13 ' A' ' 49' ' ' LEU . 3.8 mt -115.69 90.42 26.46 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.459 1.1 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -14.91 21.03 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.418 1.746 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 29.8 p80 -94.0 70.62 3.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 109.662 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.812 HG13 HD11 ' A' ' 32' ' ' ILE . 2.5 p -176.93 142.95 0.54 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.714 ' O ' HD12 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.97 157.28 42.97 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.516 1.798 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.595 ' HG ' ' HZ3' ' A' ' 21' ' ' LYS . 81.1 mt -80.45 -37.88 31.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.13 -43.11 83.51 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.467 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.1 p -74.35 -47.36 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 0.789 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.812 HD11 HG13 ' A' ' 27' ' ' VAL . 15.4 mt -49.39 -51.11 15.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 109.214 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -48.06 -56.68 7.16 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.53 1.143 . . . . 0.0 110.349 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.92 -42.05 97.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.7 -31.64 66.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.646 HD13 HD23 ' A' ' 13' ' ' LEU . 10.0 mt -69.71 -53.74 17.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.28 -25.96 60.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.711 ' CG ' HG13 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -56.45 -25.25 50.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 p -138.64 -70.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 0.0 110.34 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.82 28.87 2.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.444 1.09 . . . . 0.0 111.018 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -153.44 123.17 6.79 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.726 HG13 HD22 ' A' ' 16' ' ' LEU . 23.4 m -50.94 -53.46 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.494 ' N ' HG23 ' A' ' 42' ' ' VAL . 22.4 t0 -53.76 -21.76 7.96 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mp -89.93 -32.32 16.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.9 m -73.67 -45.82 50.22 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.588 HG13 HD11 ' A' ' 24' ' ' LEU . 1.3 tt -57.81 -52.42 58.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.481 ' N ' HG23 ' A' ' 46' ' ' ILE . 33.5 m -59.46 -60.93 3.07 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.563 1.164 . . . . 0.0 110.405 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -43.93 -43.87 6.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.682 HD13 HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -48.08 -43.1 30.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 47' ' ' THR . 1.5 mt -91.46 -67.83 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 47' ' ' THR . 5.8 mm-40 -42.71 -82.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.122 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.6 105.52 1.82 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 111.067 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -132.21 -99.93 0.29 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 0.753 . . . . 0.0 109.322 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.711 HG13 ' CG ' ' A' ' 38' ' ' LYS . 55.8 t 66.49 137.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.098 . . . . 0.0 109.279 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 54' ' ' VAL . . . 70.52 140.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -81.08 156.49 25.79 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.546 1.154 . . . . 0.0 110.974 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.72 115.29 65.17 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 110.956 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 175.38 11.32 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.445 1.76 . . . . 0.0 110.991 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.42 157.66 42.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -157.49 108.27 2.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.2 pt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.959 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m -79.75 168.13 19.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 110.039 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.86 155.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.021 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.55 103.66 1.78 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 111.043 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.96 -58.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.78 . . . . 0.0 110.021 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.4 m -105.07 161.26 14.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.28 -171.47 15.95 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.418 1.074 . . . . 0.0 111.028 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.75 94.0 31.15 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.539 0.788 . . . . 0.0 109.985 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 177.08 9.07 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 110.969 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -135.68 113.69 11.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.508 ' O ' HG12 ' A' ' 11' ' ' VAL . 38.3 t -111.45 39.58 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 62.32 164.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.419 HD22 HD13 ' A' ' 36' ' ' LEU . 6.1 mt -89.84 -33.48 16.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.05 -64.79 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.439 ' O ' ' CB ' ' A' ' 18' ' ' GLN . 79.5 m -40.3 -63.73 0.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.349 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.919 HD23 HG13 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -44.26 -71.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 109.326 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -39.91 -35.58 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.439 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -61.99 -56.36 19.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -59.3 -66.51 0.5 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 1.175 . . . . 0.0 110.322 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.785 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -42.81 -43.03 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 9.3 tptt -69.49 -40.82 76.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 19' ' ' ARG . 5.0 tp10 -64.69 -47.1 79.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 110.355 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.1 t -62.45 -35.04 67.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.528 HD13 ' CD1' ' A' ' 49' ' ' LEU . 3.0 mt -130.66 86.96 51.17 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.455 1.097 . . . . 0.0 109.395 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 52.05 2.92 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.506 1.793 . . . . 0.0 111.083 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -139.74 -59.74 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.631 1.207 . . . . 0.0 109.56 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 1.046 HG13 HD11 ' A' ' 32' ' ' ILE . 2.5 p -50.92 143.03 16.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.682 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.3 Cg_endo -75.01 162.08 37.7 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.509 1.794 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.8 mt -80.9 -41.64 22.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.36 -40.68 38.75 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.0 OUTLIER -79.3 -46.36 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.563 0.802 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 1.046 HD11 HG13 ' A' ' 27' ' ' VAL . 40.1 mt -53.94 -56.16 10.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -47.06 -51.45 17.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 110.261 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -65.67 -59.39 3.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.81 -41.12 6.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.545 HD22 HD22 ' A' ' 16' ' ' LEU . 27.9 mt -53.32 -41.64 65.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' ARG . . . -59.95 -17.69 39.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.568 ' HD3' HG13 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -85.98 -45.65 11.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.5 p -99.37 -71.13 0.71 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.411 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 93.28 10.49 59.45 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.5 t -134.12 118.47 17.74 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.919 HG13 HD23 ' A' ' 16' ' ' LEU . 7.3 m -47.04 -49.01 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -50.35 -65.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.77 -53.81 14.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.783 HG21 HG11 ' A' ' 20' ' ' VAL . 61.8 m -42.21 -58.34 2.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.367 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.558 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.5 mt -40.91 -66.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.478 HG22 ' HB2' ' A' ' 51' ' ' GLU . 97.8 m -56.49 -51.86 66.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.385 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.962 ' OD1' HG23 ' A' ' 54' ' ' VAL . 7.8 t30 -41.87 -50.57 4.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 109.239 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.528 ' CD1' HD13 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -40.47 -40.78 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.322 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 47' ' ' THR . 3.5 tp -94.14 -68.0 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.478 ' HB2' HG22 ' A' ' 47' ' ' THR . 0.1 OUTLIER -49.61 -87.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.346 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 136.74 49.67 0.07 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.431 1.082 . . . . 0.0 111.03 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.73 -16.12 56.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 109.364 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.962 HG23 ' OD1' ' A' ' 48' ' ' ASN . 60.4 t -45.39 141.19 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.46 167.1 10.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -143.01 136.79 28.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.401 1.063 . . . . 0.0 111.029 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.3 mtt -68.32 113.32 14.62 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 111.053 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 152.39 40.42 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.03 151.49 33.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -141.21 96.5 3.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.261 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 p -158.0 117.72 3.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.435 0.727 . . . . 0.0 110.038 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.5 p -175.33 157.27 2.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.999 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.81 -139.62 4.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.531 1.144 . . . . 0.0 111.053 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.71 147.66 39.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 110.024 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -63.73 126.27 27.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.973 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.16 108.53 1.62 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.456 1.097 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.1 m -157.73 116.54 1.9 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.532 0.784 . . . . 0.0 109.984 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 166.67 28.63 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.452 1.764 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -133.34 107.46 8.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.614 HG12 ' N ' ' A' ' 12' ' ' GLN . 59.5 t -123.53 -112.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.614 ' N ' HG12 ' A' ' 11' ' ' VAL . 1.4 tt0 58.22 164.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.589 1.181 . . . . 0.0 110.323 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.9 mt -90.0 -40.9 12.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.284 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.71 -62.87 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.3 m -39.68 -36.46 0.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 110.411 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.739 ' O ' HG22 ' A' ' 20' ' ' VAL . 71.0 mt -73.58 -61.24 1.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.466 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . . . -40.14 -31.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.426 ' N ' ' C ' ' A' ' 16' ' ' LEU . 2.7 mm-40 -64.93 -54.22 34.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.422 1.077 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 22' ' ' GLU . 4.6 mtt-85 -63.36 -67.49 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.391 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.739 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -39.76 -40.42 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.466 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 26.0 tptt -68.37 -50.87 50.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 19' ' ' ARG . 1.9 mm-40 -43.23 -41.15 3.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.591 1.182 . . . . 0.0 110.375 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.6 t -77.66 -43.24 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.563 HD13 HD13 ' A' ' 49' ' ' LEU . 2.5 mt -123.34 90.48 50.45 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.087 . . . . 0.0 109.235 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -44.23 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.469 1.773 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -42.9 -64.01 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.618 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.784 HG13 HD11 ' A' ' 32' ' ' ILE . 2.5 p -42.94 143.03 1.31 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.686 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.1 Cg_endo -75.02 165.1 32.01 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.52 1.8 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.7 mt -85.27 -34.37 21.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.43 -31.82 67.25 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.576 1.172 . . . . 0.0 111.058 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.442 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.1 p -86.2 -46.11 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.751 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.784 HD11 HG13 ' A' ' 27' ' ' VAL . 13.6 mt -50.57 -51.71 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -46.33 -47.34 18.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.207 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -47.23 39.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -51.7 -33.21 33.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.0 mt -61.8 -57.71 10.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.51 -23.66 41.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.423 ' HG2' HG22 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -64.72 -20.11 66.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.587 1.179 . . . . 0.0 109.269 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 p -138.7 -74.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.378 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.23 19.47 6.28 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 11.4 m -147.8 118.01 7.32 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.71 HG12 HG13 ' A' ' 20' ' ' VAL . 22.4 m -45.24 -55.89 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.521 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -47.09 -61.96 1.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -47.37 -55.16 9.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 61.0 m -42.92 -59.01 2.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.393 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.404 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.6 mt -42.97 -61.77 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.367 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 50' ' ' LEU . 2.8 m -56.45 -62.88 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.383 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -41.15 -44.0 2.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.563 HD13 HD13 ' A' ' 24' ' ' LEU . 1.7 mt -51.97 -48.79 64.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.492 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -72.1 -54.12 10.74 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -46.39 -73.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.414 1.071 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 117.63 44.06 0.56 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.56 -100.46 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 0.743 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.423 HG22 ' HG2' ' A' ' 38' ' ' LYS . 26.1 t 63.13 133.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.77 173.13 7.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -78.26 151.51 33.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.95 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.93 111.73 5.96 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 150.66 38.71 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.33 168.49 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.488 1.118 . . . . 0.0 110.348 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.0 116.38 0.29 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.139 . . . . 0.0 109.362 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -166.86 -55.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 109.957 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m 71.12 -60.78 0.5 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.095 . . . . 0.0 110.006 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.18 -76.43 0.4 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.3 p 41.22 89.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 109.972 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 m -150.6 -61.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.009 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.26 52.52 0.2 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.463 1.102 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.0 t 52.26 92.21 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.513 0.772 . . . . 0.0 109.968 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 158.65 42.16 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.545 1.813 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.9 t0 62.61 140.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.576 1.172 . . . . 0.0 109.307 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.607 HG12 ' N ' ' A' ' 12' ' ' GLN . 59.5 t -126.63 -113.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.607 ' N ' HG12 ' A' ' 11' ' ' VAL . 2.5 pt20 -130.78 161.34 31.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.422 1.076 . . . . 0.0 110.352 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.541 HD23 ' CD1' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -54.85 -48.05 73.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.166 . . . . 0.0 109.23 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.482 ' HB3' ' HG3' ' A' ' 12' ' ' GLN . . . -45.89 -56.08 5.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.4 m -60.41 -35.34 75.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.38 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.68 ' O ' HG22 ' A' ' 20' ' ' VAL . 62.1 mt -64.11 -61.89 1.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -39.95 -31.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 0.0 109.348 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.81 -64.08 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 0.0 110.257 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 22' ' ' GLU . 4.6 mtm180 -52.39 -68.34 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.702 HG13 HG12 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -41.31 -39.89 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.423 1.077 . . . . 0.0 109.353 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.814 ' HD3' HD21 ' A' ' 29' ' ' LEU . 1.4 tptt -69.04 -47.2 65.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -52.9 -35.56 58.27 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.603 HG12 ' HG ' ' A' ' 24' ' ' LEU . 54.8 t -82.02 -41.42 18.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.603 ' HG ' HG12 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -128.1 90.47 47.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -46.23 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.527 1.804 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -40.85 -66.54 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.545 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.689 HG23 ' HD2' ' A' ' 28' ' ' PRO . 2.5 p -41.21 143.03 0.83 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.123 . . . . 0.0 109.307 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.689 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.2 Cg_endo -75.02 171.18 18.82 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.435 1.755 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.814 HD21 ' HD3' ' A' ' 21' ' ' LYS . 72.9 mt -86.62 -47.84 8.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -45.19 -35.47 4.92 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.39 1.056 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.458 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.1 p -81.95 -46.9 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.565 0.803 . . . . 0.0 109.368 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.578 HD12 ' O ' ' A' ' 28' ' ' PRO . 24.0 mt -47.91 -56.65 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -41.81 -42.19 2.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.404 ' C ' ' N ' ' A' ' 36' ' ' LEU . 1.9 mtt-85 -77.54 -55.87 5.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -43.4 -28.5 0.35 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.541 ' CD1' HD23 ' A' ' 13' ' ' LEU . 11.7 mt -70.45 -53.05 17.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.0 -28.32 51.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 1.013 ' O ' HG11 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -58.81 -42.76 89.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.353 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.7 p -114.78 -72.83 0.68 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.486 1.116 . . . . 0.0 110.381 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 113.51 18.82 6.87 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.418 1.074 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -150.04 115.44 5.48 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.702 HG12 HG13 ' A' ' 20' ' ' VAL . 9.7 m -40.71 -50.66 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.03 -57.35 9.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mp -55.02 -52.63 62.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.412 HG21 HG11 ' A' ' 20' ' ' VAL . 20.0 m -41.24 -53.12 3.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.661 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.6 mt -46.31 -71.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.162 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.458 ' N ' HG22 ' A' ' 46' ' ' ILE . 3.1 m -47.17 -54.99 9.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.078 . . . . 0.0 110.369 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -46.1 -48.16 17.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.219 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.8 mt -60.34 -35.3 75.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 47' ' ' THR . 0.3 OUTLIER -61.06 -62.65 1.7 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 109.264 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -103.01 -76.72 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.248 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.693 ' O ' ' HB3' ' A' ' 53' ' ' ALA . . . 166.8 -99.91 0.16 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.507 1.13 . . . . 0.0 111.065 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 52' ' ' GLY . . . 84.69 -48.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 0.743 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 1.013 HG11 ' O ' ' A' ' 38' ' ' LYS . 2.1 t -115.86 -177.79 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.942 ' HB2' ' HG2' ' A' ' 38' ' ' LYS . . . 70.29 84.51 0.14 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -129.7 157.96 40.7 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.56 1.162 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -161.77 120.75 1.44 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.17 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 161.6 38.51 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.484 1.781 . . . . 0.0 110.948 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -104.67 155.91 18.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -179.65 108.68 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.1 mm . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.972 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.79 167.46 4.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 0.734 . . . . 0.0 110.036 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 m -159.51 161.92 35.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.041 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.32 88.34 0.13 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.493 1.121 . . . . 0.0 111.041 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.94 -28.93 0.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 0.728 . . . . 0.0 109.994 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.9 t -70.99 118.85 14.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.052 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.43 126.15 7.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.449 1.093 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.0 p -139.4 151.04 66.05 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.458 0.74 . . . . 0.0 109.986 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.412 ' O ' ' O ' ' A' ' 10' ' ' ASP . 18.3 Cg_endo -75.07 162.21 37.34 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.454 1.765 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.413 ' HB2' HG21 ' A' ' 15' ' ' THR . 0.0 OUTLIER 55.68 106.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.354 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.4 t -134.85 33.78 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.157 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -87.88 154.62 20.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.492 HD22 ' HG2' ' A' ' 33' ' ' GLN . 0.3 OUTLIER -41.49 -56.27 2.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.3 -64.28 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.413 HG21 ' HB2' ' A' ' 10' ' ' ASP . 23.0 m -42.94 -47.18 5.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.428 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.801 ' O ' HG22 ' A' ' 20' ' ' VAL . 67.1 mt -58.92 -62.9 1.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.502 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -39.72 -36.85 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.37 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -55.68 28.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.232 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 22' ' ' GLU . 6.3 mtt180 -60.06 -66.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.801 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -42.43 -42.91 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 23.9 tptt -69.88 -41.62 74.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 19' ' ' ARG . 6.8 tt0 -60.16 -25.04 65.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.0 t -93.97 -37.47 8.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.423 1.077 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.2 mt -130.48 91.12 38.96 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -35.22 3.34 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.532 1.806 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -49.48 -61.53 2.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.626 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.809 HG13 HD11 ' A' ' 32' ' ' ILE . 2.5 p -48.79 143.06 8.54 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.687 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.4 Cg_endo -75.0 162.11 37.65 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.481 1.779 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.3 mt -82.32 -37.06 26.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.361 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.66 -33.3 62.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.459 1.1 . . . . 0.0 110.964 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.413 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 0.6 OUTLIER -86.01 -44.51 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.739 . . . . 0.0 109.254 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.809 HD11 HG13 ' A' ' 27' ' ' VAL . 23.1 mt -50.02 -58.69 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.492 ' HG2' HD22 ' A' ' 13' ' ' LEU . 43.6 mt-30 -45.42 -64.23 0.77 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.143 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.604 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 17.6 ttt180 -53.88 -46.36 71.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 110.293 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 38' ' ' LYS . 30.3 m-20 -55.3 -51.66 65.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.486 HD13 ' HB2' ' A' ' 16' ' ' LEU . 17.3 mt -45.18 -34.89 2.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -63.99 -44.08 93.76 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.806 ' CD ' HG13 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -41.88 -41.04 2.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 109.259 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.433 HG21 HD21 ' A' ' 48' ' ' ASN . 8.5 p -123.08 -80.13 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.345 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 117.13 36.08 1.06 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.544 1.152 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.2 m -153.87 114.87 4.07 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.478 HG23 ' N ' ' A' ' 43' ' ' ASP . 16.0 m -42.03 -54.94 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.478 ' N ' HG23 ' A' ' 42' ' ' VAL . 3.0 m-20 -49.67 -50.21 44.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.7 mp -53.97 -59.67 4.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.9 m -39.21 -56.39 1.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.46 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.6 mt -47.29 -55.54 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 0.0 109.261 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -59.76 -51.76 68.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.493 ' CG ' ' HB3' ' A' ' 53' ' ' ALA . 5.7 m-20 -47.68 -57.31 5.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.0 mt -53.98 -43.7 70.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.42 -64.38 0.85 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.462 1.101 . . . . 0.0 109.234 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -92.93 -95.32 0.15 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.085 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.93 105.8 0.2 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.456 1.098 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.493 ' HB3' ' CG ' ' A' ' 48' ' ' ASN . . . -131.95 71.3 1.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 0.762 . . . . 0.0 109.368 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.806 HG13 ' CD ' ' A' ' 38' ' ' LYS . 76.8 t -127.72 135.39 63.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.253 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -118.91 69.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.421 ' CD1' ' O ' ' A' ' 56' ' ' PHE . 32.4 p90 -45.05 137.46 4.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.17 110.18 2.49 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.092 . . . . 0.0 110.946 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 139.31 23.97 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.457 1.767 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.45 165.71 7.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.345 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -172.36 110.93 0.25 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.559 1.162 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.603 1.19 . . . . 0.0 109.32 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.2 p -129.5 109.59 11.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 0.791 . . . . 0.0 109.927 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 t -169.8 90.29 0.19 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.419 1.074 . . . . 0.0 110.043 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.33 -131.2 7.81 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.554 1.159 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.456 ' CB ' ' HG3' ' A' ' 9' ' ' PRO . 95.7 p -77.88 163.11 26.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 m -116.19 139.09 50.7 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.562 1.164 . . . . 0.0 109.954 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.56 -116.19 2.6 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.572 1.17 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.4 t -114.93 104.46 54.07 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.569 0.805 . . . . 0.0 110.082 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.456 ' HG3' ' CB ' ' A' ' 5' ' ' SER . 18.4 Cg_endo -74.92 165.24 31.81 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.521 1.801 . . . . 0.0 111.017 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.768 ' O ' HG21 ' A' ' 15' ' ' THR . 1.6 t0 -177.51 135.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -140.9 41.81 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -87.89 166.96 14.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.309 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -42.64 -56.1 3.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.49 -63.86 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.768 HG21 ' O ' ' A' ' 10' ' ' ASP . 10.5 m -40.13 -39.6 0.94 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.526 1.141 . . . . 0.0 110.433 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.838 ' O ' HG22 ' A' ' 20' ' ' VAL . 45.1 mt -72.76 -52.34 15.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.475 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . . . -44.94 -26.61 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.423 ' N ' ' C ' ' A' ' 16' ' ' LEU . 8.8 tp60 -71.43 -44.45 64.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' LEU . 6.6 mtt180 -74.41 -65.92 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.838 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -39.75 -37.08 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.61 -51.61 27.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 19' ' ' ARG . 2.0 mm-40 -44.17 -34.13 1.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 110.343 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.6 t -85.91 -38.21 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 109.337 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.611 HD23 ' CE1' ' A' ' 26' ' ' HIS . 2.9 mt -126.9 90.19 50.19 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.42 1.075 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -36.47 2.55 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.499 1.789 . . . . 0.0 111.1 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.611 ' CE1' HD23 ' A' ' 24' ' ' LEU . 7.9 p80 -72.65 70.72 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.584 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.689 HG23 ' HD2' ' A' ' 28' ' ' PRO . 2.5 p -179.94 143.06 0.36 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.596 1.185 . . . . 0.0 109.36 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.689 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.2 Cg_endo -75.03 165.36 31.44 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.57 1.826 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 23.4 mt -80.77 -45.36 17.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -46.61 -51.37 12.68 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.472 1.107 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.3 p -63.27 -47.43 92.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 0.793 . . . . 0.0 109.354 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.514 HD11 HG13 ' A' ' 27' ' ' VAL . 25.4 mt -51.37 -63.62 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -42.44 -55.75 3.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.525 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -53.88 -50.91 65.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 110.312 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -53.23 -47.79 68.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 40' ' ' GLY . 73.7 mt -50.7 -46.91 59.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -43.75 -27.57 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.421 1.076 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.464 ' HE2' ' CG1' ' A' ' 54' ' ' VAL . 0.1 OUTLIER -72.9 -59.74 2.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.8 p -101.06 -64.81 1.01 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.376 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 92.75 6.11 64.07 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.581 1.175 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.46 ' HB3' HD13 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -116.96 117.13 28.84 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.587 ' O ' HD12 ' A' ' 46' ' ' ILE . 10.4 m -40.3 -49.33 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.95 -61.36 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.46 HD13 ' HB3' ' A' ' 41' ' ' CYS . 6.4 mp -42.97 -56.59 3.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.0 m -39.7 -53.52 2.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.471 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.587 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.5 mt -52.89 -67.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.407 1.067 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 50' ' ' LEU . 2.2 m -48.18 -51.05 26.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.391 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.586 ' ND2' HG22 ' A' ' 54' ' ' VAL . 38.3 t-20 -43.47 -54.11 5.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.246 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 49' ' ' LEU . 9.4 mt -61.16 -34.26 74.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' THR . 0.8 OUTLIER -67.88 -39.42 83.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.67 -98.97 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 110.31 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.659 ' O ' HG23 ' A' ' 54' ' ' VAL . . . -139.14 -73.99 0.05 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.472 1.107 . . . . 0.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 40.88 61.73 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.774 . . . . 0.0 109.267 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 52' ' ' GLY . 89.9 t -123.17 156.9 29.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.502 1.126 . . . . 0.0 109.229 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.99 136.3 34.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -73.09 165.24 25.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.7 152.86 46.72 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.989 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 143.83 29.67 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.536 1.808 . . . . 0.0 111.032 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -44.53 160.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -147.7 101.61 3.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.6 pp . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 -179.931 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.66 79.34 9.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 0.0 110.054 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.85 -58.57 0.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.083 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.07 70.71 0.39 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.58 1.175 . . . . 0.0 110.964 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 t -172.95 93.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.575 0.809 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t 56.3 89.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.015 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.03 91.76 0.1 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 0.0 111.04 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.38 85.42 0.48 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 110.031 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 59.88 5.31 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.552 1.817 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -120.32 105.93 11.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.118 . . . . 0.0 109.339 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.609 HG12 ' N ' ' A' ' 12' ' ' GLN . 59.8 t -123.55 -112.39 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.609 ' N ' HG12 ' A' ' 11' ' ' VAL . 8.3 mt-30 -82.66 2.22 34.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -45.66 -60.63 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.94 -63.73 1.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.0 m -41.06 -39.19 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.448 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.801 HD22 HG13 ' A' ' 42' ' ' VAL . 54.3 mt -66.57 -61.94 1.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.479 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -40.09 -31.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.414 1.071 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.427 ' N ' ' C ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -65.7 -53.57 39.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.095 . . . . 0.0 110.304 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.7 OUTLIER -64.23 -67.42 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.762 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -39.61 -43.38 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 23.3 tptt -67.82 -49.28 63.13 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -41.87 -44.83 3.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 110.333 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.418 HG12 ' HG ' ' A' ' 24' ' ' LEU . 74.1 t -76.34 -44.44 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.476 ' O ' ' CG1' ' A' ' 27' ' ' VAL . 2.1 mt -123.51 90.25 50.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -35.73 2.96 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.493 1.786 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.409 ' HE1' HD23 ' A' ' 24' ' ' LEU . 12.8 p-80 -47.7 -64.2 0.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.655 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.762 HG13 HD11 ' A' ' 32' ' ' ILE . 2.5 p -41.42 143.06 0.88 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.721 ' O ' HD12 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -75.01 161.21 39.09 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.5 1.789 . . . . 0.0 111.024 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.6 mt -80.81 -33.65 34.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.21 -45.08 94.54 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.466 1.104 . . . . 0.0 110.963 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.438 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.1 p -71.68 -46.06 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 0.737 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.762 HD11 HG13 ' A' ' 27' ' ' VAL . 26.6 mt -51.88 -61.4 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -41.59 -38.95 1.47 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -55.71 5.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -48.36 -26.96 2.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.233 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 36' ' ' LEU . 16.5 mt -65.52 -60.18 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.251 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.47 -25.46 51.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.486 ' HG2' HG22 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -59.69 -31.77 69.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.2 p -136.46 -77.93 0.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.353 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.74 33.57 1.39 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -149.51 110.57 4.36 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.801 HG13 HD22 ' A' ' 16' ' ' LEU . 14.9 m -41.21 -55.63 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.082 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.486 ' H ' HG23 ' A' ' 42' ' ' VAL . 0.8 OUTLIER -44.64 -54.47 6.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.247 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.27 -51.95 66.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 97.7 m -45.87 -52.97 10.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.396 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.7 mt -47.15 -53.49 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 51' ' ' GLU . 1.2 m -65.2 -49.72 68.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.356 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -44.14 -45.34 8.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.579 1.175 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.0 mt -58.27 -53.68 55.58 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.578 1.174 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.58 -66.51 0.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.132 . . . . 0.0 109.232 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 47' ' ' THR . 0.3 OUTLIER -54.43 -89.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.607 1.192 . . . . 0.0 110.307 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 129.47 64.35 0.11 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.466 1.104 . . . . 0.0 110.942 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.76 -100.33 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 0.776 . . . . 0.0 109.318 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.486 HG22 ' HG2' ' A' ' 38' ' ' LYS . 53.6 t 63.57 132.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.255 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 54' ' ' VAL . . . 70.03 36.55 1.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.403 ' O ' ' O ' ' A' ' 57' ' ' MET . 13.8 t80 -88.11 -15.54 35.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.403 ' O ' ' O ' ' A' ' 56' ' ' PHE . 0.1 OUTLIER 57.68 115.11 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.181 . . . . 0.0 110.996 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 156.01 42.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.541 1.811 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -128.7 151.05 49.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.8 p-10 -130.69 95.35 3.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.165 . . . . 0.0 109.326 179.952 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.5 mm? . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.406 ' O ' ' CG ' ' A' ' 18' ' ' GLN . . . -53.7 -57.21 11.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.0 m -47.94 -37.8 15.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 110.37 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.666 ' O ' HG22 ' A' ' 20' ' ' VAL . 58.8 mt -74.36 -64.75 0.96 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.514 ' HB1' ' CD2' ' A' ' 29' ' ' LEU . . . -39.99 -30.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.437 ' N ' ' C ' ' A' ' 16' ' ' LEU . 3.1 mm100 -62.35 -60.45 3.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 22' ' ' GLU . 1.0 OUTLIER -56.49 -68.17 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.666 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -40.1 -42.77 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 23.4 tptt -68.87 -48.97 62.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -46.33 -37.22 7.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.1 t -81.68 -41.58 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.472 HD23 ' CE1' ' A' ' 26' ' ' HIS . 0.9 OUTLIER -128.73 90.42 46.22 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -33.99 4.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.527 1.804 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.472 ' CE1' HD23 ' A' ' 24' ' ' LEU . 3.2 p-80 -47.82 -59.86 3.01 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.481 1.113 . . . . 0.0 109.544 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.762 HG13 HD11 ' A' ' 32' ' ' ILE . 2.5 p -50.15 143.03 13.23 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.689 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.4 Cg_endo -74.93 161.49 38.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.514 ' CD2' ' HB1' ' A' ' 17' ' ' ALA . 9.0 mt -79.1 -37.93 37.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.05 -48.05 59.16 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.462 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.4 p -69.41 -47.24 73.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.474 0.749 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.762 HD11 HG13 ' A' ' 27' ' ' VAL . 23.0 mt -49.64 -58.59 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -43.77 -42.42 5.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.327 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -74.45 -51.85 13.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.253 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -49.11 -38.06 23.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.41 HD23 ' OG1' ' A' ' 45' ' ' THR . 55.4 mt -63.38 -45.41 91.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.04 -32.74 72.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -22.32 63.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.623 ' HB ' HD23 ' A' ' 44' ' ' LEU . 13.6 p -139.68 -90.55 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 110.419 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.83 42.21 0.27 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.599 1.187 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.525 ' HB2' HD22 ' A' ' 44' ' ' LEU . 1.2 m -155.84 117.29 3.94 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.516 ' O ' HD12 ' A' ' 46' ' ' ILE . 15.9 m -44.41 -53.61 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.452 ' N ' HG23 ' A' ' 42' ' ' VAL . 27.6 m-20 -50.96 -53.09 36.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.163 . . . . 0.0 109.357 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.623 HD23 ' HB ' ' A' ' 39' ' ' THR . 1.5 mp -49.38 -59.99 3.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.365 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.517 HG21 HG11 ' A' ' 20' ' ' VAL . 1.1 m -38.74 -58.9 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.395 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.516 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.6 mt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.52 -60.9 1.02 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.1 m -47.2 -43.6 21.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.466 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.712 ' O ' HG22 ' A' ' 20' ' ' VAL . 77.0 mt -67.7 -68.82 0.36 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.484 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -40.1 -30.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.433 ' N ' ' C ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -64.13 -57.1 10.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.272 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -60.71 -67.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.712 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -39.79 -37.15 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.43 1.081 . . . . 0.0 109.349 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 19.4 tptt -74.6 -49.85 20.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -45.64 -42.69 11.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.275 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.3 t -78.72 -45.93 24.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.097 . . . . 0.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.49 ' O ' ' CG1' ' A' ' 27' ' ' VAL . 1.1 mt -117.9 90.31 36.39 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -43.5 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.413 1.744 . . . . 0.0 111.028 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.471 ' NE2' HD23 ' A' ' 24' ' ' LEU . 2.1 p-80 -41.06 -63.86 0.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.423 1.077 . . . . 0.0 109.536 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.777 HG13 HD11 ' A' ' 32' ' ' ILE . 2.5 p -43.29 143.05 1.49 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.245 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.693 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.1 Cg_endo -75.09 155.48 42.53 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.427 1.751 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.2 mt -79.1 -24.82 43.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -66.99 -42.51 92.61 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.4 p -73.9 -47.34 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.777 HD11 HG13 ' A' ' 27' ' ' VAL . 23.8 mt -48.86 -46.06 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -53.82 -29.19 39.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 110.268 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.18 -49.47 7.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -49.17 -43.76 42.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.569 HD13 ' HB2' ' A' ' 16' ' ' LEU . 79.1 mt -58.97 -39.03 80.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.09 -23.06 66.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.48 -43.59 48.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.572 1.17 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.482 ' HB ' HD23 ' A' ' 44' ' ' LEU . 49.5 p -118.59 -70.06 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.397 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.442 ' N ' ' OG1' ' A' ' 39' ' ' THR . . . 102.47 18.06 17.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.489 1.118 . . . . 0.0 110.948 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.439 ' CB ' ' HB2' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -127.41 111.91 14.39 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.638 HG13 HD22 ' A' ' 16' ' ' LEU . 18.6 m -42.52 -53.27 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.465 ' N ' HG23 ' A' ' 42' ' ' VAL . 25.5 t0 -53.85 -58.3 7.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.098 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.482 HD23 ' HB ' ' A' ' 39' ' ' THR . 0.8 OUTLIER -46.22 -57.46 4.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 51.7 m -38.78 -56.47 1.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.415 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.444 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.6 mt . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 109.338 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.14 -60.98 2.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.6 m -43.62 -39.18 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.376 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.701 ' O ' HG22 ' A' ' 20' ' ' VAL . 61.5 mt -74.66 -60.44 2.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.545 ' HB1' HD22 ' A' ' 29' ' ' LEU . . . -40.12 -30.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.439 ' N ' ' C ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -63.62 -58.26 7.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 22' ' ' GLU . 2.4 mpt_? -59.46 -68.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.701 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -39.8 -36.99 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.51 1.131 . . . . 0.0 109.398 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 17.9 tptt -75.54 -50.53 15.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -41.39 -45.58 3.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.9 t -76.22 -45.32 35.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.516 HD11 HD12 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -119.55 90.11 42.21 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.399 1.062 . . . . 0.0 109.298 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -37.55 2.01 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.44 1.758 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.452 ' CD2' ' H ' ' A' ' 27' ' ' VAL . 3.4 p-80 -44.57 -70.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.642 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.73 HG13 HD11 ' A' ' 32' ' ' ILE . 2.5 p -41.44 142.99 0.9 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.351 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.689 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.2 Cg_endo -75.04 164.49 33.19 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.524 1.802 . . . . 0.0 110.974 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.545 HD22 ' HB1' ' A' ' 17' ' ' ALA . 33.5 mt -81.64 -39.07 24.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.69 -46.67 66.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.424 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 0.8 OUTLIER -70.33 -44.52 77.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 0.733 . . . . 0.0 109.271 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.73 HD11 HG13 ' A' ' 27' ' ' VAL . 16.1 mt -53.07 -55.6 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -54.19 -45.15 72.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.46 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -65.71 -38.13 88.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -65.28 -50.04 67.24 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.117 . . . . 0.0 109.257 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' GLY . 10.4 mt -48.74 -39.1 23.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -53.44 -39.86 64.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.72 -27.11 26.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.8 p -142.31 -84.59 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.173 . . . . 0.0 110.437 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 119.34 39.8 0.66 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.536 1.147 . . . . 0.0 111.068 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -153.12 120.79 6.0 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.599 HG12 HG13 ' A' ' 20' ' ' VAL . 29.7 m -50.28 -54.2 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.242 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.514 ' N ' HG23 ' A' ' 42' ' ' VAL . 13.9 t0 -47.33 -35.02 7.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.5 mp -81.11 -32.72 33.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 42' ' ' VAL . 18.5 m -72.98 -61.11 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.389 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.516 HD12 HD11 ' A' ' 24' ' ' LEU . 6.2 tp . . . . . 0 C--N 1.324 -0.538 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.525 HD22 ' HG2' ' A' ' 33' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.14 -58.49 6.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.2 m -52.79 -30.07 31.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.454 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.744 HD22 HG13 ' A' ' 42' ' ' VAL . 65.8 mt -74.1 -67.16 0.64 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.492 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -40.0 -30.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.441 ' N ' ' C ' ' A' ' 16' ' ' LEU . 24.4 mt-30 -61.7 -62.2 1.97 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -55.0 -68.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.682 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -40.52 -37.59 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 28.2 tptt -72.23 -49.08 37.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 19' ' ' ARG . 6.1 mm-40 -50.62 -25.12 3.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.257 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.0 t -96.11 -42.07 11.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.56 1.162 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.8 90.31 40.12 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -44.81 0.32 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.463 1.77 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -42.72 -69.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.597 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.675 HG23 ' HD2' ' A' ' 28' ' ' PRO . 2.6 p -46.07 142.81 3.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.675 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.3 Cg_endo -74.93 162.76 36.72 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.505 1.792 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.1 mt -77.34 -43.53 32.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.352 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -47.28 -54.51 10.05 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.554 1.159 . . . . 0.0 111.031 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.462 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.4 p -63.15 -47.61 91.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.794 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.462 ' N ' ' CG1' ' A' ' 31' ' ' VAL . 21.6 mt -44.45 -52.61 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.525 ' HG2' HD22 ' A' ' 13' ' ' LEU . 26.3 mt-30 -53.12 -48.41 67.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.92 -45.32 95.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -58.69 -28.96 66.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.545 HD22 HD13 ' A' ' 16' ' ' LEU . 4.0 mt -72.98 -48.36 37.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.11 -31.04 40.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -32.2 61.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.347 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.3 p -135.92 -84.51 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.44 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.89 42.18 0.27 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.415 1.072 . . . . 0.0 111.019 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -160.32 120.14 2.83 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.744 HG13 HD22 ' A' ' 16' ' ' LEU . 28.5 m -49.29 -54.94 4.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.529 ' N ' HG23 ' A' ' 42' ' ' VAL . 5.4 t70 -48.44 -33.17 8.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.4 mp -81.28 -52.65 7.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 109.259 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.5 m -55.77 -57.83 10.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.406 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.903 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.17 -59.89 4.14 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.8 m -48.3 -35.16 11.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.41 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.661 ' O ' HG22 ' A' ' 20' ' ' VAL . 21.6 mt -65.42 -62.34 1.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -40.2 -29.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.442 ' N ' ' C ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -61.6 -62.14 2.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.7 OUTLIER -54.92 -68.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.276 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.661 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -40.4 -39.28 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.561 1.163 . . . . 0.0 109.347 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -71.38 -49.74 39.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.9 OUTLIER -42.63 -32.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.593 1.183 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.1 t -86.72 -44.08 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.453 ' O ' ' CG1' ' A' ' 27' ' ' VAL . 0.9 OUTLIER -124.73 90.24 51.24 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -36.33 2.57 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 0.0 110.928 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.44 ' CD2' ' H ' ' A' ' 26' ' ' HIS . 2.7 p80 -49.3 -63.31 1.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.66 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.703 HG23 ' HD2' ' A' ' 28' ' ' PRO . 2.5 p -43.54 143.05 1.63 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.578 1.174 . . . . 0.0 109.255 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.703 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.1 Cg_endo -75.03 171.63 17.95 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.506 1.793 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.9 mt -90.01 -44.55 9.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.69 -23.72 7.05 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 0.8 OUTLIER -93.44 -44.28 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 109.322 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.697 HD12 ' O ' ' A' ' 28' ' ' PRO . 17.3 mt -53.17 -50.58 45.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -57.73 -58.66 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -36.63 68.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.46 -40.38 89.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 40' ' ' GLY . 22.3 mt -62.82 -36.31 82.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.86 -27.88 68.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -66.83 -36.2 81.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.372 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.3 p -125.6 -77.41 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 114.32 21.61 5.47 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.2 m -128.39 103.99 7.46 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.545 HG12 HG13 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -41.37 -41.61 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -59.12 5.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 mp -43.92 -53.47 6.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.242 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.3 m -42.32 -59.89 1.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 110.364 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.509 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.6 mt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.614 HD23 HD12 ' A' ' 36' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.81 -55.05 2.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.402 ' O ' ' CB ' ' A' ' 18' ' ' GLN . 98.9 m -58.79 -64.33 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.153 . . . . 0.0 110.459 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.82 ' O ' HG22 ' A' ' 20' ' ' VAL . 66.9 mt -45.61 -64.67 0.68 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.484 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -39.94 -37.04 0.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.402 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -62.08 -51.15 69.1 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.414 1.071 . . . . 0.0 110.337 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.8 OUTLIER -66.21 -68.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.338 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.876 HG13 HG12 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -39.93 -41.3 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.578 1.174 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 19.5 tptt -71.26 -48.22 52.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.087 . . . . 0.0 109.385 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.7 OUTLIER -47.74 -41.7 23.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.7 t -74.22 -40.66 50.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 21' ' ' LYS . 13.1 mt -132.54 90.64 32.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -23.31 13.91 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.448 1.762 . . . . 0.0 111.038 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -54.73 -61.89 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.549 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.854 HG13 HD11 ' A' ' 32' ' ' ILE . 2.5 p -50.89 143.02 15.94 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.79 ' O ' HD12 ' A' ' 32' ' ' ILE . 18.0 Cg_endo -75.11 165.5 31.03 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.471 1.774 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.452 ' CD2' ' HB1' ' A' ' 17' ' ' ALA . 17.7 mt -81.76 -41.59 20.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -49.42 -44.15 35.85 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.4 p -73.93 -47.62 42.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.466 0.744 . . . . 0.0 109.263 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.854 HD11 HG13 ' A' ' 27' ' ' VAL . 14.7 mt -52.11 -50.48 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.25 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.507 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 37.5 mt-30 -50.95 -39.82 55.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -42.77 37.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.09 -35.24 69.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.614 HD12 HD23 ' A' ' 13' ' ' LEU . 39.7 mt -64.36 -51.49 63.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.345 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.4 -22.61 54.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.64 -32.72 74.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.9 p -139.23 -76.75 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.397 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.52 35.16 1.21 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.569 1.168 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.3 m -146.14 109.15 4.61 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.876 HG12 HG13 ' A' ' 20' ' ' VAL . 15.9 m -40.71 -54.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.479 ' N ' HG23 ' A' ' 42' ' ' VAL . 8.5 t0 -45.05 -46.06 11.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 41' ' ' CYS . 4.1 mp -65.8 -51.74 56.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.0 m -46.3 -49.29 17.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 110.375 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.449 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.6 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.356 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.488 ' CD2' HD13 ' A' ' 36' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.61 -46.62 77.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 39.0 m -63.98 -12.37 37.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.431 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.88 ' O ' HG22 ' A' ' 20' ' ' VAL . 76.1 mt -92.48 -65.09 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.495 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . . . -48.3 -36.45 14.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -62.6 -38.38 89.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -78.59 -68.39 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.311 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.88 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -40.47 -40.07 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.606 1.191 . . . . 0.0 109.367 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.477 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 34.7 tptt -67.71 -49.18 64.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.241 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -53.73 -45.87 70.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.2 t -70.91 -37.54 68.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.3 mt -134.58 90.6 23.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -31.47 6.21 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.438 1.757 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -47.27 -67.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.587 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.868 HG13 HD11 ' A' ' 32' ' ' ILE . 2.5 p -45.81 142.93 3.45 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.382 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.687 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.2 Cg_endo -74.92 158.65 42.37 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.432 1.754 . . . . 0.0 110.968 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.8 mt -73.82 -40.38 63.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -48.74 -55.39 11.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.549 1.156 . . . . 0.0 111.05 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.48 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 2.0 p -65.55 -49.42 78.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.477 0.751 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.868 HD11 HG13 ' A' ' 27' ' ' VAL . 41.6 mt -44.02 -46.36 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -56.26 -45.0 80.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -58.12 3.79 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.519 1.137 . . . . 0.0 110.238 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.3 -27.7 1.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.488 HD13 ' CD2' ' A' ' 13' ' ' LEU . 13.4 mt -73.77 -55.41 6.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.51 -29.15 15.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.358 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -44.08 91.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.2 p -119.74 -70.71 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.369 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 110.95 12.97 14.58 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.12 . . . . 0.0 111.079 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.48 ' HB2' HD22 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -127.16 112.24 14.92 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.471 HG23 ' N ' ' A' ' 43' ' ' ASP . 15.9 m -41.23 -54.48 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.471 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -47.23 -54.45 10.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.534 1.147 . . . . 0.0 109.275 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.48 HD22 ' HB2' ' A' ' 41' ' ' CYS . 7.8 mp -53.93 -45.02 71.12 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.462 1.102 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 49.6 m -56.42 -51.54 67.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 110.351 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.957 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.03 -58.16 3.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.8 m -51.4 -40.54 59.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.406 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.889 ' O ' HG22 ' A' ' 20' ' ' VAL . 60.0 mt -68.42 -63.48 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.492 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . . . -40.48 -29.96 0.1 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.436 ' N ' ' C ' ' A' ' 16' ' ' LEU . 0.9 OUTLIER -62.31 -74.22 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -43.57 -66.69 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.889 HG22 ' O ' ' A' ' 16' ' ' LEU . 2.0 m -40.19 -42.59 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -69.97 -46.61 64.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 109.272 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -49.65 -37.66 29.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.7 t -82.0 -32.58 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.557 ' HB3' ' CE1' ' A' ' 26' ' ' HIS . 0.7 OUTLIER -135.15 87.27 29.17 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.03 -25.71 11.56 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.538 1.809 . . . . 0.0 110.949 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.557 ' CE1' ' HB3' ' A' ' 24' ' ' LEU . 4.5 p80 -58.5 -57.24 13.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.636 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.682 HG23 ' HD2' ' A' ' 28' ' ' PRO . 2.6 p -49.45 142.8 10.93 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.682 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.1 Cg_endo -75.08 161.62 38.25 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.463 1.77 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.408 ' HA ' HD12 ' A' ' 32' ' ' ILE . 13.3 mt -81.47 -31.08 33.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.83 -45.82 95.73 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.453 1.095 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.445 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.4 p -67.81 -47.35 79.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.386 0.698 . . . . 0.0 109.361 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.542 HD11 HG13 ' A' ' 27' ' ' VAL . 52.3 mt -52.43 -57.74 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -38.93 -31.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.411 ' N ' ' C ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -89.51 -54.69 3.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 110.307 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.92 -29.09 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 32.6 mt -70.69 -54.32 12.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.237 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.7 -21.25 10.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.098 . . . . 0.0 109.213 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -55.11 31.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.411 1.069 . . . . 0.0 109.374 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.4 p -118.1 -70.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.405 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.89 28.84 3.51 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.2 m -133.85 110.87 10.05 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.636 HG13 HD22 ' A' ' 16' ' ' LEU . 10.0 m -42.91 -49.93 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.99 -43.45 73.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 41' ' ' CYS . 8.1 mp -64.94 -50.47 66.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.356 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.591 HG21 HG11 ' A' ' 20' ' ' VAL . 4.0 m -41.89 -51.67 4.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.481 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.6 mt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.264 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.422 ' O ' ' HB3' ' A' ' 17' ' ' ALA . . . -44.6 -61.29 1.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.5 m -39.16 -57.19 1.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.413 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.779 ' O ' HG22 ' A' ' 20' ' ' VAL . 47.0 mt -55.36 -54.87 38.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.495 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -39.94 -35.05 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.231 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -61.93 -54.71 38.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 22' ' ' GLU . 3.7 mtt-85 -62.29 -68.22 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 110.265 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.81 HG13 HG12 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -40.11 -42.39 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.753 ' HD3' HD21 ' A' ' 29' ' ' LEU . 4.0 tptm -65.51 -49.78 67.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 19' ' ' ARG . 1.7 tm-20 -48.19 -45.1 33.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.604 HG12 ' HG ' ' A' ' 24' ' ' LEU . 40.3 t -67.68 -44.24 86.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.604 ' HG ' HG12 ' A' ' 23' ' ' VAL . 12.2 mt -132.78 91.92 28.14 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -23.23 13.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.417 1.746 . . . . 0.0 110.977 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -58.97 -59.72 5.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.579 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.754 HG13 HD11 ' A' ' 32' ' ' ILE . 2.5 p -45.37 143.09 2.88 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.69 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.4 Cg_endo -74.95 167.43 27.07 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.544 1.812 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.753 HD21 ' HD3' ' A' ' 21' ' ' LYS . 43.5 mt -82.03 -48.56 11.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -44.37 -43.73 7.66 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.468 1.105 . . . . 0.0 111.07 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 0.8 OUTLIER -74.52 -48.63 34.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.552 0.795 . . . . 0.0 109.286 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.754 HD11 HG13 ' A' ' 27' ' ' VAL . 26.8 mt -48.54 -57.92 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -41.68 -50.02 4.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.31 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -58.75 3.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.43 1.081 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -40.61 -39.84 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.268 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 40' ' ' GLY . 41.4 mt -56.39 -60.79 3.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.19 -39.24 69.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.246 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.53 -50.06 7.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.0 p -110.74 -72.08 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.366 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 113.42 31.54 2.36 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 0.0 111.05 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -153.82 110.81 3.41 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.81 HG12 HG13 ' A' ' 20' ' ' VAL . 12.2 m -40.74 -50.39 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -56.0 -57.15 13.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 mp -48.91 -49.3 40.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.5 m -49.54 -57.28 7.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.4 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.454 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.5 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.433 HD23 HD13 ' A' ' 36' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.1 -58.13 3.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.1 m -48.93 -38.2 22.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.442 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.885 HD22 HG13 ' A' ' 42' ' ' VAL . 77.3 mt -71.25 -62.88 1.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.494 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -40.0 -32.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.415 ' N ' ' C ' ' A' ' 16' ' ' LEU . 7.2 mt-30 -61.73 -58.73 6.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -57.72 -68.03 0.28 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.725 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -40.77 -41.14 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 7.0 tptt -70.68 -46.0 63.99 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' ARG . 6.1 tt0 -56.78 -44.0 81.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.9 t -74.87 -38.68 44.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.354 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.2 mt -132.67 90.75 31.94 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -40.8 0.8 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -39.87 -67.6 0.22 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.557 1.161 . . . . 0.0 109.663 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.668 HG23 ' HD2' ' A' ' 28' ' ' PRO . 2.7 p -44.11 142.73 2.06 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.229 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.668 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.3 Cg_endo -75.0 170.02 21.34 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.468 1.773 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.3 mt -84.81 -45.58 12.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -46.67 -38.75 10.02 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.418 1.074 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.444 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.2 p -79.1 -46.3 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 109.239 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.547 HD11 HG13 ' A' ' 27' ' ' VAL . 40.3 mt -49.17 -58.14 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -48.73 -47.27 41.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.274 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.529 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 0.6 OUTLIER -64.94 -58.24 6.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 110.3 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 38' ' ' LYS . 6.9 t70 -45.6 -54.68 7.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 40' ' ' GLY . 19.0 mt -44.44 -53.57 6.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -40.74 -35.22 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 35' ' ' ASP . 3.7 mmmm -65.06 -53.59 43.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 36' ' ' LEU . 76.0 p -95.37 -74.46 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.444 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 89.41 35.83 7.79 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -160.06 111.02 1.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.885 HG13 HD22 ' A' ' 16' ' ' LEU . 26.9 m -40.46 155.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 42' ' ' VAL . 2.3 t70 81.5 -53.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.1 -34.78 68.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.357 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.5 m -69.56 -50.88 40.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.598 1.186 . . . . 0.0 110.431 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.3 mp . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 179.94 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.45 HD21 ' HA ' ' A' ' 33' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.09 -60.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.387 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.9 m -48.17 -46.71 34.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.389 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.844 ' O ' HG22 ' A' ' 20' ' ' VAL . 90.9 mt -63.82 -66.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.467 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -39.62 -39.86 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -60.58 -50.37 73.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 16' ' ' LEU . 54.5 mtt-85 -66.49 -68.28 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.844 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -40.08 -38.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.467 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 7.9 tptt -67.95 -52.89 30.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.365 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -42.77 -45.69 4.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.326 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.6 t -69.22 -48.63 67.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.356 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.667 ' O ' HG12 ' A' ' 27' ' ' VAL . 11.5 mt -123.73 90.78 50.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.363 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.401 ' HA ' ' HD2' ' A' ' 21' ' ' LYS . 18.3 Cg_endo -74.94 -21.4 16.04 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 110.995 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -62.09 -57.96 9.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.603 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 1.086 HG13 HD11 ' A' ' 32' ' ' ILE . 7.1 p -47.6 141.44 7.2 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.568 ' O ' HD12 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.92 163.31 35.71 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.479 1.778 . . . . 0.0 111.021 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 80.4 mt -79.28 -40.92 29.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.52 -44.16 45.96 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.459 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.2 p -75.44 -47.27 35.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.462 0.742 . . . . 0.0 109.255 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 1.086 HD11 HG13 ' A' ' 27' ' ' VAL . 41.7 mt -49.97 -45.25 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.45 ' HA ' HD21 ' A' ' 13' ' ' LEU . 61.8 mt-30 -56.93 -46.89 81.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.33 -56.87 7.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -45.41 -43.91 11.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 36' ' ' LEU . 14.5 mt -52.25 -58.74 5.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 109.243 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.21 -40.89 78.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.231 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.38 -30.4 1.32 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.403 ' HB ' HD23 ' A' ' 44' ' ' LEU . 5.6 p -134.16 -98.71 0.26 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.52 1.138 . . . . 0.0 110.454 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 137.82 44.83 0.08 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.112 . . . . 0.0 111.04 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -161.16 114.27 1.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.689 HG13 HD22 ' A' ' 16' ' ' LEU . 12.2 m -41.31 -50.38 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.12 -53.03 56.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.403 HD23 ' HB ' ' A' ' 39' ' ' THR . 6.2 mp -51.16 -54.09 28.58 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.46 HG21 HG11 ' A' ' 20' ' ' VAL . 52.0 m -43.1 -56.85 3.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 110.463 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.426 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.6 mt . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.491 ' CD2' ' HA ' ' A' ' 33' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.58 -60.48 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.8 m -51.32 -57.97 7.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.429 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.808 ' O ' HG22 ' A' ' 20' ' ' VAL . 66.9 mt -47.68 -65.83 0.5 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.479 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -39.83 -37.9 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.92 -52.64 64.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.588 1.18 . . . . 0.0 110.289 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 22' ' ' GLU . 15.9 mmt-85 -63.98 -68.33 0.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.344 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.808 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -40.17 -39.56 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.52 1.138 . . . . 0.0 109.36 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 29.0 tptt -67.8 -49.94 59.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.087 . . . . 0.0 109.273 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 19' ' ' ARG . 13.2 mm-40 -45.69 -47.17 15.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.353 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.445 HG12 ' HG ' ' A' ' 24' ' ' LEU . 72.8 t -69.52 -46.96 74.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.445 ' HG ' HG12 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -122.85 90.66 50.04 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -41.22 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.505 1.792 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -41.18 -62.81 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.646 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.817 HG13 HD11 ' A' ' 32' ' ' ILE . 2.9 p -49.62 142.65 11.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.684 ' O ' HD12 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.98 163.04 36.16 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.447 1.762 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 23.7 mt -79.48 -39.66 31.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.355 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.27 -47.41 42.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.54 1.15 . . . . 0.0 111.058 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.7 p -71.95 -48.97 47.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.48 0.753 . . . . 0.0 109.367 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.817 HD11 HG13 ' A' ' 27' ' ' VAL . 14.6 mt -45.51 -51.03 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.491 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 65.2 mt-30 -45.5 -62.02 1.45 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 110.279 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.418 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -60.52 -40.44 91.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.242 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -57.65 -36.78 72.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.513 HD21 HG11 ' A' ' 20' ' ' VAL . 65.2 mt -66.0 -24.48 66.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -78.3 -32.56 49.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.62 -45.88 90.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.2 p -102.74 -80.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.386 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.79 23.35 6.23 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.523 1.14 . . . . 0.0 111.038 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -150.52 111.51 4.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.557 HG12 HG13 ' A' ' 20' ' ' VAL . 13.3 m -41.2 -51.58 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.423 ' N ' HG23 ' A' ' 42' ' ' VAL . 8.2 t0 -53.99 -54.03 44.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.356 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 tp -54.6 -50.46 68.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.235 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 90.4 m -42.94 -57.33 2.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.346 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.939 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.489 HD23 HD12 ' A' ' 36' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.89 -62.06 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.0 m -52.01 -29.06 19.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.418 1.074 . . . . 0.0 110.354 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.785 ' O ' HG22 ' A' ' 20' ' ' VAL . 28.9 mt -76.22 -64.52 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.546 ' O ' HG23 ' A' ' 20' ' ' VAL . . . -40.24 -29.97 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.434 ' N ' ' C ' ' A' ' 16' ' ' LEU . 23.8 mt-30 -61.79 -74.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.289 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 20' ' ' VAL . 3.9 mtt85 -41.16 -66.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.785 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.9 OUTLIER -39.49 -68.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 109.284 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.699 ' H ' HG23 ' A' ' 20' ' ' VAL . 22.8 tptt -47.9 -43.2 28.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -52.25 -43.91 64.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.443 1.09 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.6 t -77.5 -41.37 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.35 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.443 ' O ' HG12 ' A' ' 27' ' ' VAL . 16.4 mt -130.26 91.8 37.68 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.24 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.408 ' HA ' ' HG3' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -75.0 -33.21 4.76 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.498 1.788 . . . . 0.0 110.977 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -42.45 -58.28 2.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.593 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.721 HG13 HD11 ' A' ' 32' ' ' ILE . 3.6 p -56.36 142.37 68.63 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.629 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.3 Cg_endo -74.96 161.05 39.51 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.803 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.8 mt -79.2 -35.3 41.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.413 1.071 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.79 -49.48 70.36 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.559 1.162 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.3 p -64.82 -46.25 92.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.721 HD11 HG13 ' A' ' 27' ' ' VAL . 40.6 mt -53.44 -57.95 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -41.51 -38.36 1.29 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.334 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.86 -50.77 9.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.248 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.62 -28.33 20.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.489 HD12 HD23 ' A' ' 13' ' ' LEU . 18.0 mt -63.88 -53.63 47.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.33 -32.4 68.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -36.32 61.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.4 p -134.81 -78.55 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.429 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.32 33.08 1.52 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -141.68 108.11 5.3 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.744 HG13 HD22 ' A' ' 16' ' ' LEU . 18.2 m -40.78 -56.49 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.513 ' N ' HG23 ' A' ' 42' ' ' VAL . 35.2 t0 -45.89 -48.36 16.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.2 mp -58.8 -56.54 20.85 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.45 1.093 . . . . 0.0 109.316 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.0 m -43.68 -57.16 3.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.456 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.093 . . . . 0.0 109.309 179.91 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.646 HD23 HD13 ' A' ' 36' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.26 -55.63 29.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.4 m -46.67 -35.79 6.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.342 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.753 ' O ' HG22 ' A' ' 20' ' ' VAL . 51.5 mt -72.12 -63.9 1.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.47 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -40.12 -30.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.442 ' N ' ' C ' ' A' ' 16' ' ' LEU . 41.5 mm-40 -66.14 -53.72 34.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -64.78 -67.14 0.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.428 1.08 . . . . 0.0 110.301 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.753 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -39.86 -37.19 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.595 ' HZ3' ' HG ' ' A' ' 29' ' ' LEU . 5.4 tptm -77.71 -53.12 7.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.38 -42.4 10.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 110.322 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.8 t -77.23 -43.82 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.588 HD11 HG13 ' A' ' 46' ' ' ILE . 3.8 mt -115.69 90.42 26.46 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.459 1.1 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -14.91 21.03 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.418 1.746 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.455 ' O ' ' CD2' ' A' ' 26' ' ' HIS . 42.5 p-80 -94.0 70.62 3.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 109.662 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.812 HG13 HD11 ' A' ' 32' ' ' ILE . 2.5 p -176.93 142.95 0.54 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.714 ' O ' HD12 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.97 157.28 42.97 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.516 1.798 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.595 ' HG ' ' HZ3' ' A' ' 21' ' ' LYS . 81.1 mt -80.45 -37.88 31.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.13 -43.11 83.51 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.467 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.1 p -74.35 -47.36 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 0.789 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.812 HD11 HG13 ' A' ' 27' ' ' VAL . 15.4 mt -49.39 -51.11 15.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 109.214 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -48.06 -56.68 7.16 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.53 1.143 . . . . 0.0 110.349 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.92 -42.05 97.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.7 -31.64 66.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.646 HD13 HD23 ' A' ' 13' ' ' LEU . 10.0 mt -69.71 -53.74 17.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.28 -25.96 60.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -25.25 50.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 p -138.64 -70.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 0.0 110.34 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.82 28.87 2.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.444 1.09 . . . . 0.0 111.018 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -153.44 123.17 6.79 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.726 HG13 HD22 ' A' ' 16' ' ' LEU . 23.4 m -50.94 -53.46 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.494 ' N ' HG23 ' A' ' 42' ' ' VAL . 22.4 t0 -53.76 -21.76 7.96 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mp -89.93 -32.32 16.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.9 m -73.67 -45.82 50.22 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.588 HG13 HD11 ' A' ' 24' ' ' LEU . 1.3 tt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.419 HD22 HD13 ' A' ' 36' ' ' LEU . 6.1 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.05 -64.79 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.439 ' O ' ' CB ' ' A' ' 18' ' ' GLN . 79.5 m -40.3 -63.73 0.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.349 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.919 HD23 HG13 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -44.26 -71.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 109.326 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -39.91 -35.58 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.439 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -61.99 -56.36 19.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -59.3 -66.51 0.5 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 1.175 . . . . 0.0 110.322 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.785 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -42.81 -43.03 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 9.3 tptt -69.49 -40.82 76.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 19' ' ' ARG . 5.0 tp10 -64.69 -47.1 79.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 110.355 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.1 t -62.45 -35.04 67.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 mt -130.66 86.96 51.17 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.455 1.097 . . . . 0.0 109.395 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.425 ' HD2' ' CE1' ' A' ' 26' ' ' HIS . 18.5 Cg_endo -74.91 52.05 2.92 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.506 1.793 . . . . 0.0 111.083 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.425 ' CE1' ' HD2' ' A' ' 25' ' ' PRO . 1.0 OUTLIER -139.74 -59.74 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.631 1.207 . . . . 0.0 109.56 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 1.046 HG13 HD11 ' A' ' 32' ' ' ILE . 2.5 p -50.92 143.03 16.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.682 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.3 Cg_endo -75.01 162.08 37.7 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.509 1.794 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.8 mt -80.9 -41.64 22.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.36 -40.68 38.75 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.0 OUTLIER -79.3 -46.36 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.563 0.802 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 1.046 HD11 HG13 ' A' ' 27' ' ' VAL . 40.1 mt -53.94 -56.16 10.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -47.06 -51.45 17.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 110.261 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -65.67 -59.39 3.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.81 -41.12 6.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.545 HD22 HD22 ' A' ' 16' ' ' LEU . 27.9 mt -53.32 -41.64 65.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' ARG . . . -59.95 -17.69 39.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.98 -45.65 11.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.5 p -99.37 -71.13 0.71 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.411 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 93.28 10.49 59.45 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.5 t -134.12 118.47 17.74 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.919 HG13 HD23 ' A' ' 16' ' ' LEU . 7.3 m -47.04 -49.01 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -50.35 -65.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.77 -53.81 14.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.783 HG21 HG11 ' A' ' 20' ' ' VAL . 61.8 m -42.21 -58.34 2.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.367 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.558 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.5 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.71 -62.87 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.3 m -39.68 -36.46 0.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 110.411 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.739 ' O ' HG22 ' A' ' 20' ' ' VAL . 71.0 mt -73.58 -61.24 1.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.466 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . . . -40.14 -31.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.426 ' N ' ' C ' ' A' ' 16' ' ' LEU . 2.7 mm-40 -64.93 -54.22 34.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.422 1.077 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 22' ' ' GLU . 4.6 mtt-85 -63.36 -67.49 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.391 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.739 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -39.76 -40.42 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.466 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 26.0 tptt -68.37 -50.87 50.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 19' ' ' ARG . 1.9 mm-40 -43.23 -41.15 3.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.591 1.182 . . . . 0.0 110.375 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.6 t -77.66 -43.24 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.476 ' O ' ' CG1' ' A' ' 27' ' ' VAL . 2.5 mt -123.34 90.48 50.45 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.087 . . . . 0.0 109.235 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -44.23 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.469 1.773 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -42.9 -64.01 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.618 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.784 HG13 HD11 ' A' ' 32' ' ' ILE . 2.5 p -42.94 143.03 1.31 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.686 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.1 Cg_endo -75.02 165.1 32.01 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.52 1.8 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.7 mt -85.27 -34.37 21.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.43 -31.82 67.25 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.576 1.172 . . . . 0.0 111.058 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.442 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.1 p -86.2 -46.11 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.751 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.784 HD11 HG13 ' A' ' 27' ' ' VAL . 13.6 mt -50.57 -51.71 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -46.33 -47.34 18.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.207 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -47.23 39.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -51.7 -33.21 33.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.0 mt -61.8 -57.71 10.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.51 -23.66 41.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -20.11 66.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.587 1.179 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 p -138.7 -74.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.378 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.23 19.47 6.28 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 11.4 m -147.8 118.01 7.32 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.71 HG12 HG13 ' A' ' 20' ' ' VAL . 22.4 m -45.24 -55.89 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.521 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -47.09 -61.96 1.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -47.37 -55.16 9.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 61.0 m -42.92 -59.01 2.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.393 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.404 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.6 mt . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.367 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.541 HD23 ' CD1' ' A' ' 36' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.89 -56.08 5.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.4 m -60.41 -35.34 75.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.38 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.68 ' O ' HG22 ' A' ' 20' ' ' VAL . 62.1 mt -64.11 -61.89 1.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -39.95 -31.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 0.0 109.348 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.81 -64.08 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 0.0 110.257 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 22' ' ' GLU . 4.6 mtm180 -52.39 -68.34 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.702 HG13 HG12 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -41.31 -39.89 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.423 1.077 . . . . 0.0 109.353 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.814 ' HD3' HD21 ' A' ' 29' ' ' LEU . 1.4 tptt -69.04 -47.2 65.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -52.9 -35.56 58.27 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.603 HG12 ' HG ' ' A' ' 24' ' ' LEU . 54.8 t -82.02 -41.42 18.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.603 ' HG ' HG12 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -128.1 90.47 47.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -46.23 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.527 1.804 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -40.85 -66.54 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.545 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.689 HG23 ' HD2' ' A' ' 28' ' ' PRO . 2.5 p -41.21 143.03 0.83 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.123 . . . . 0.0 109.307 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.689 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.2 Cg_endo -75.02 171.18 18.82 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.435 1.755 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.814 HD21 ' HD3' ' A' ' 21' ' ' LYS . 72.9 mt -86.62 -47.84 8.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -45.19 -35.47 4.92 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.39 1.056 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.458 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.1 p -81.95 -46.9 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.565 0.803 . . . . 0.0 109.368 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.578 HD12 ' O ' ' A' ' 28' ' ' PRO . 24.0 mt -47.91 -56.65 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -41.81 -42.19 2.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.404 ' C ' ' N ' ' A' ' 36' ' ' LEU . 1.9 mtt-85 -77.54 -55.87 5.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -43.4 -28.5 0.35 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.541 ' CD1' HD23 ' A' ' 13' ' ' LEU . 11.7 mt -70.45 -53.05 17.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.0 -28.32 51.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -42.76 89.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.353 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.7 p -114.78 -72.83 0.68 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.486 1.116 . . . . 0.0 110.381 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 113.51 18.82 6.87 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.418 1.074 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -150.04 115.44 5.48 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.702 HG12 HG13 ' A' ' 20' ' ' VAL . 9.7 m -40.71 -50.66 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.03 -57.35 9.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mp -55.02 -52.63 62.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.412 HG21 HG11 ' A' ' 20' ' ' VAL . 20.0 m -41.24 -53.12 3.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.661 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.6 mt . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.162 . . . . 0.0 109.305 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.492 HD22 ' HG2' ' A' ' 33' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.3 -64.28 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.0 m -42.94 -47.18 5.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.428 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.801 ' O ' HG22 ' A' ' 20' ' ' VAL . 67.1 mt -58.92 -62.9 1.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.502 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -39.72 -36.85 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.37 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -55.68 28.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.232 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 22' ' ' GLU . 6.3 mtt180 -60.06 -66.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.801 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -42.43 -42.91 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 23.9 tptt -69.88 -41.62 74.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 19' ' ' ARG . 6.8 tt0 -60.16 -25.04 65.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.0 t -93.97 -37.47 8.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.423 1.077 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 26' ' ' HIS . 6.2 mt -130.48 91.12 38.96 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -35.22 3.34 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.532 1.806 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 24' ' ' LEU . 32.7 p-80 -49.48 -61.53 2.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.626 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.809 HG13 HD11 ' A' ' 32' ' ' ILE . 2.5 p -48.79 143.06 8.54 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.687 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.4 Cg_endo -75.0 162.11 37.65 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.481 1.779 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.3 mt -82.32 -37.06 26.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.361 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.66 -33.3 62.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.459 1.1 . . . . 0.0 110.964 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.413 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 0.6 OUTLIER -86.01 -44.51 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.739 . . . . 0.0 109.254 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.809 HD11 HG13 ' A' ' 27' ' ' VAL . 23.1 mt -50.02 -58.69 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.492 ' HG2' HD22 ' A' ' 13' ' ' LEU . 43.6 mt-30 -45.42 -64.23 0.77 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.143 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.604 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 17.6 ttt180 -53.88 -46.36 71.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 110.293 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 38' ' ' LYS . 30.3 m-20 -55.3 -51.66 65.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.486 HD13 ' HB2' ' A' ' 16' ' ' LEU . 17.3 mt -45.18 -34.89 2.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -63.99 -44.08 93.76 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.477 ' NZ ' ' HA ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -41.88 -41.04 2.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 109.259 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.5 p -123.08 -80.13 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.345 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 117.13 36.08 1.06 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.544 1.152 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.2 m -153.87 114.87 4.07 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.478 HG23 ' N ' ' A' ' 43' ' ' ASP . 16.0 m -42.03 -54.94 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.478 ' N ' HG23 ' A' ' 42' ' ' VAL . 3.0 m-20 -49.67 -50.21 44.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.7 mp -53.97 -59.67 4.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.9 m -39.21 -56.39 1.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.46 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.6 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 0.0 109.261 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.49 -63.86 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.5 m -40.13 -39.6 0.94 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.526 1.141 . . . . 0.0 110.433 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.838 ' O ' HG22 ' A' ' 20' ' ' VAL . 45.1 mt -72.76 -52.34 15.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.475 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . . . -44.94 -26.61 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.423 ' N ' ' C ' ' A' ' 16' ' ' LEU . 8.8 tp60 -71.43 -44.45 64.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' LEU . 6.6 mtt180 -74.41 -65.92 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.838 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -39.75 -37.08 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.61 -51.61 27.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 19' ' ' ARG . 2.0 mm-40 -44.17 -34.13 1.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 110.343 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.6 t -85.91 -38.21 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 109.337 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.611 HD23 ' CE1' ' A' ' 26' ' ' HIS . 2.9 mt -126.9 90.19 50.19 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.42 1.075 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -36.47 2.55 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.499 1.789 . . . . 0.0 111.1 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.611 ' CE1' HD23 ' A' ' 24' ' ' LEU . 7.9 p80 -72.65 70.72 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.584 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.689 HG23 ' HD2' ' A' ' 28' ' ' PRO . 2.5 p -179.94 143.06 0.36 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.596 1.185 . . . . 0.0 109.36 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.689 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.2 Cg_endo -75.03 165.36 31.44 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.57 1.826 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 23.4 mt -80.77 -45.36 17.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -46.61 -51.37 12.68 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.472 1.107 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.3 p -63.27 -47.43 92.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 0.793 . . . . 0.0 109.354 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.514 HD11 HG13 ' A' ' 27' ' ' VAL . 25.4 mt -51.37 -63.62 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -42.44 -55.75 3.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.525 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -53.88 -50.91 65.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 110.312 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -53.23 -47.79 68.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 40' ' ' GLY . 73.7 mt -50.7 -46.91 59.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -43.75 -27.57 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.421 1.076 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.427 ' N ' ' C ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -72.9 -59.74 2.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.8 p -101.06 -64.81 1.01 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.376 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 92.75 6.11 64.07 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.581 1.175 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.46 ' HB3' HD13 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -116.96 117.13 28.84 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.587 ' O ' HD12 ' A' ' 46' ' ' ILE . 10.4 m -40.3 -49.33 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.95 -61.36 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.46 HD13 ' HB3' ' A' ' 41' ' ' CYS . 6.4 mp -42.97 -56.59 3.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.0 m -39.7 -53.52 2.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.471 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.587 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.5 mt . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.407 1.067 . . . . 0.0 109.263 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.94 -63.73 1.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.0 m -41.06 -39.19 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.448 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.801 HD22 HG13 ' A' ' 42' ' ' VAL . 54.3 mt -66.57 -61.94 1.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.479 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -40.09 -31.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.414 1.071 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.427 ' N ' ' C ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -65.7 -53.57 39.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.095 . . . . 0.0 110.304 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.7 OUTLIER -64.23 -67.42 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.762 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -39.61 -43.38 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 23.3 tptt -67.82 -49.28 63.13 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -41.87 -44.83 3.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 110.333 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.418 HG12 ' HG ' ' A' ' 24' ' ' LEU . 74.1 t -76.34 -44.44 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.476 ' O ' ' CG1' ' A' ' 27' ' ' VAL . 2.1 mt -123.51 90.25 50.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -35.73 2.96 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.493 1.786 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.409 ' HE1' HD23 ' A' ' 24' ' ' LEU . 12.8 p-80 -47.7 -64.2 0.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.655 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.762 HG13 HD11 ' A' ' 32' ' ' ILE . 2.5 p -41.42 143.06 0.88 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.721 ' O ' HD12 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -75.01 161.21 39.09 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.5 1.789 . . . . 0.0 111.024 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.6 mt -80.81 -33.65 34.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.21 -45.08 94.54 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.466 1.104 . . . . 0.0 110.963 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.438 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.1 p -71.68 -46.06 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 0.737 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.762 HD11 HG13 ' A' ' 27' ' ' VAL . 26.6 mt -51.88 -61.4 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -41.59 -38.95 1.47 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -55.71 5.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -48.36 -26.96 2.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.233 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 36' ' ' LEU . 16.5 mt -65.52 -60.18 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.251 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.47 -25.46 51.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -31.77 69.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.2 p -136.46 -77.93 0.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.353 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.74 33.57 1.39 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -149.51 110.57 4.36 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.801 HG13 HD22 ' A' ' 16' ' ' LEU . 14.9 m -41.21 -55.63 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.082 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.486 ' H ' HG23 ' A' ' 42' ' ' VAL . 0.8 OUTLIER -44.64 -54.47 6.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.247 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.27 -51.95 66.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 97.7 m -45.87 -52.97 10.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.396 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.935 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.98 166.33 24.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 0.727 . . . . 0.0 110.045 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.8 p -136.85 146.39 45.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 109.95 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.93 -77.97 0.21 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.76 166.56 6.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 0.743 . . . . 0.0 109.944 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.2 p -45.57 -58.91 3.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.157 . . . . 0.0 109.997 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.46 103.91 0.26 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.36 84.43 23.13 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.468 0.746 . . . . 0.0 109.968 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 85.79 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.478 1.778 . . . . 0.0 111.021 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.525 ' O ' HG21 ' A' ' 15' ' ' THR . 0.5 OUTLIER -156.36 125.34 6.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.361 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.43 ' O ' HG12 ' A' ' 11' ' ' VAL . 17.2 t -129.43 36.65 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -72.52 170.32 14.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -53.0 -44.04 66.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.406 ' O ' ' CG ' ' A' ' 18' ' ' GLN . . . -53.7 -57.21 11.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.525 HG21 ' O ' ' A' ' 10' ' ' ASP . 6.0 m -47.94 -37.8 15.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 110.37 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.666 ' O ' HG22 ' A' ' 20' ' ' VAL . 58.8 mt -74.36 -64.75 0.96 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.514 ' HB1' ' CD2' ' A' ' 29' ' ' LEU . . . -39.99 -30.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.437 ' N ' ' C ' ' A' ' 16' ' ' LEU . 3.1 mm100 -62.35 -60.45 3.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 22' ' ' GLU . 1.0 OUTLIER -56.49 -68.17 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.666 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -40.1 -42.77 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 23.4 tptt -68.87 -48.97 62.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -46.33 -37.22 7.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.1 t -81.68 -41.58 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.472 HD23 ' CE1' ' A' ' 26' ' ' HIS . 0.9 OUTLIER -128.73 90.42 46.22 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -33.99 4.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.527 1.804 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.472 ' CE1' HD23 ' A' ' 24' ' ' LEU . 3.2 p-80 -47.82 -59.86 3.01 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.481 1.113 . . . . 0.0 109.544 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.762 HG13 HD11 ' A' ' 32' ' ' ILE . 2.5 p -50.15 143.03 13.23 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.689 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.4 Cg_endo -74.93 161.49 38.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.514 ' CD2' ' HB1' ' A' ' 17' ' ' ALA . 9.0 mt -79.1 -37.93 37.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.05 -48.05 59.16 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.462 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.4 p -69.41 -47.24 73.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.474 0.749 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.762 HD11 HG13 ' A' ' 27' ' ' VAL . 23.0 mt -49.64 -58.59 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -43.77 -42.42 5.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.327 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -74.45 -51.85 13.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.253 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -49.11 -38.06 23.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.41 HD23 ' OG1' ' A' ' 45' ' ' THR . 55.4 mt -63.38 -45.41 91.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.04 -32.74 72.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.964 ' HD3' HG13 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -60.45 -22.32 63.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.623 ' HB ' HD23 ' A' ' 44' ' ' LEU . 13.6 p -139.68 -90.55 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 110.419 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.83 42.21 0.27 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.599 1.187 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.525 ' HB2' HD22 ' A' ' 44' ' ' LEU . 1.2 m -155.84 117.29 3.94 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.516 ' O ' HD12 ' A' ' 46' ' ' ILE . 15.9 m -44.41 -53.61 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.452 ' N ' HG23 ' A' ' 42' ' ' VAL . 27.6 m-20 -50.96 -53.09 36.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.163 . . . . 0.0 109.357 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.623 HD23 ' HB ' ' A' ' 39' ' ' THR . 1.5 mp -49.38 -59.99 3.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.365 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.517 HG21 HG11 ' A' ' 20' ' ' VAL . 1.1 m -38.74 -58.9 1.01 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.395 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.516 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.6 mt -40.48 -62.39 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.6 m -52.89 -57.35 10.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.396 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.452 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 1.8 m-20 -40.81 -51.58 3.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.628 HD11 HG21 ' A' ' 27' ' ' VAL . 2.2 mt -59.97 -48.49 81.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.4 ' HG ' ' N ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -53.58 -55.22 27.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.4 ' N ' ' HG ' ' A' ' 50' ' ' LEU . 4.6 mm-40 -105.82 -95.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.21 -82.47 0.04 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.549 1.156 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.452 ' HB3' ' HA ' ' A' ' 48' ' ' ASN . . . 52.24 82.66 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 0.797 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.964 HG13 ' HD3' ' A' ' 38' ' ' LYS . 73.7 t -135.5 130.48 50.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.529 1.143 . . . . 0.0 109.367 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -163.06 178.29 8.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 33.6 t80 51.22 175.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.469 ' CG ' ' HD2' ' A' ' 58' ' ' PRO . 11.2 ttt -176.77 142.33 0.54 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 57' ' ' MET . 18.3 Cg_endo -75.06 -179.26 4.83 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.569 1.826 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -132.02 155.79 47.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 110.274 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 176.84 119.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.2 pp . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.276 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 t -68.23 90.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 110.005 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.22 167.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.74 -126.47 8.05 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.0 p 48.96 92.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 0.784 . . . . 0.0 109.985 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.3 m 64.28 132.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 109.954 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.63 -86.44 0.45 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.464 1.102 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.6 t -142.92 148.56 46.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 109.97 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 159.18 41.58 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.544 1.813 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.855 ' O ' HG21 ' A' ' 15' ' ' THR . 0.5 OUTLIER -138.6 99.62 3.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.542 1.151 . . . . 0.0 109.239 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.575 ' O ' HG12 ' A' ' 11' ' ' VAL . 45.8 t -119.72 36.24 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -75.63 161.35 29.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.07 -61.37 1.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.242 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.52 -60.9 1.02 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.855 HG21 ' O ' ' A' ' 10' ' ' ASP . 4.1 m -47.2 -43.6 21.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.466 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.712 ' O ' HG22 ' A' ' 20' ' ' VAL . 77.0 mt -67.7 -68.82 0.36 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.484 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -40.1 -30.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.433 ' N ' ' C ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -64.13 -57.1 10.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.272 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -60.71 -67.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.712 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -39.79 -37.15 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.43 1.081 . . . . 0.0 109.349 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 19.4 tptt -74.6 -49.85 20.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -45.64 -42.69 11.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.275 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.3 t -78.72 -45.93 24.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.097 . . . . 0.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.49 ' O ' ' CG1' ' A' ' 27' ' ' VAL . 1.1 mt -117.9 90.31 36.39 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -43.5 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.413 1.744 . . . . 0.0 111.028 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.471 ' NE2' HD23 ' A' ' 24' ' ' LEU . 2.1 p-80 -41.06 -63.86 0.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.423 1.077 . . . . 0.0 109.536 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.777 HG13 HD11 ' A' ' 32' ' ' ILE . 2.5 p -43.29 143.05 1.49 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.245 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.693 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.1 Cg_endo -75.09 155.48 42.53 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.427 1.751 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.2 mt -79.1 -24.82 43.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -66.99 -42.51 92.61 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.4 p -73.9 -47.34 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.777 HD11 HG13 ' A' ' 27' ' ' VAL . 23.8 mt -48.86 -46.06 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -53.82 -29.19 39.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 110.268 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.18 -49.47 7.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -49.17 -43.76 42.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.569 HD13 ' HB2' ' A' ' 16' ' ' LEU . 79.1 mt -58.97 -39.03 80.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.09 -23.06 66.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.675 ' CD ' HG13 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -75.48 -43.59 48.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.572 1.17 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.482 ' HB ' HD23 ' A' ' 44' ' ' LEU . 49.5 p -118.59 -70.06 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.397 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.442 ' N ' ' OG1' ' A' ' 39' ' ' THR . . . 102.47 18.06 17.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.489 1.118 . . . . 0.0 110.948 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.439 ' CB ' ' HB2' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -127.41 111.91 14.39 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.638 HG13 HD22 ' A' ' 16' ' ' LEU . 18.6 m -42.52 -53.27 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.465 ' N ' HG23 ' A' ' 42' ' ' VAL . 25.5 t0 -53.85 -58.3 7.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.098 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.482 HD23 ' HB ' ' A' ' 39' ' ' THR . 0.8 OUTLIER -46.22 -57.46 4.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 49' ' ' LEU . 51.7 m -38.78 -56.47 1.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.415 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.444 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.6 mt -46.86 -49.79 6.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -67.41 -50.33 59.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.486 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.518 ' OD1' ' HB3' ' A' ' 53' ' ' ALA . 2.0 m-80 -56.18 -25.26 46.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.232 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 45' ' ' THR . 8.5 mt -81.68 -57.23 3.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.69 -57.8 10.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.37 -90.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 142.5 63.91 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.396 1.06 . . . . 0.0 111.042 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.518 ' HB3' ' OD1' ' A' ' 48' ' ' ASN . . . -90.32 -100.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.675 HG13 ' CD ' ' A' ' 38' ' ' LYS . 80.5 t 65.56 125.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 54' ' ' VAL . . . 69.61 77.68 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.495 ' O ' ' CD1' ' A' ' 56' ' ' PHE . 43.2 t80 -85.06 -5.95 59.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.444 1.09 . . . . 0.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.1 mtt 41.38 91.84 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 104.13 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.792 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 2.8 mm-40 -63.7 154.88 31.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.075 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.456 ' CB ' ' O ' ' A' ' 59' ' ' GLU . 21.0 t0 78.46 128.66 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.305 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.5 p -173.09 86.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.99 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 p -71.05 148.92 47.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.024 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.03 105.79 1.3 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.124 . . . . 0.0 111.082 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 7' ' ' GLY . 62.1 p -123.09 92.27 3.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 0.747 . . . . 0.0 110.047 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.68 -65.76 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.036 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 5' ' ' SER . . . -165.45 116.06 0.67 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 m -116.82 150.25 45.46 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.44 0.729 . . . . 0.0 110.023 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 59.54 5.25 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.501 1.79 . . . . 0.0 110.985 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -115.46 100.03 7.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.627 ' O ' HG12 ' A' ' 11' ' ' VAL . 61.5 t -129.53 39.85 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -82.52 2.2 34.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.386 1.054 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -43.3 -54.32 4.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.138 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.14 -60.98 2.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.6 m -43.62 -39.18 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.376 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.701 ' O ' HG22 ' A' ' 20' ' ' VAL . 61.5 mt -74.66 -60.44 2.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.545 ' HB1' HD22 ' A' ' 29' ' ' LEU . . . -40.12 -30.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.439 ' N ' ' C ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -63.62 -58.26 7.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 22' ' ' GLU . 2.4 mpt_? -59.46 -68.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.701 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -39.8 -36.99 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.51 1.131 . . . . 0.0 109.398 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 17.9 tptt -75.54 -50.53 15.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -41.39 -45.58 3.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.9 t -76.22 -45.32 35.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.928 HD13 HD13 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -119.55 90.11 42.21 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.399 1.062 . . . . 0.0 109.298 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -37.55 2.01 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.44 1.758 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.452 ' CD2' ' H ' ' A' ' 27' ' ' VAL . 3.4 p-80 -44.57 -70.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.642 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.73 HG13 HD11 ' A' ' 32' ' ' ILE . 2.5 p -41.44 142.99 0.9 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.351 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.689 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.2 Cg_endo -75.04 164.49 33.19 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.524 1.802 . . . . 0.0 110.974 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.545 HD22 ' HB1' ' A' ' 17' ' ' ALA . 33.5 mt -81.64 -39.07 24.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -53.69 -46.67 66.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.424 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 0.8 OUTLIER -70.33 -44.52 77.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 0.733 . . . . 0.0 109.271 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.73 HD11 HG13 ' A' ' 27' ' ' VAL . 16.1 mt -53.07 -55.6 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -54.19 -45.15 72.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.46 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -65.71 -38.13 88.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -65.28 -50.04 67.24 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.117 . . . . 0.0 109.257 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' GLY . 10.4 mt -48.74 -39.1 23.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -53.44 -39.86 64.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.669 ' HG3' HG13 ' A' ' 54' ' ' VAL . 0.3 OUTLIER -53.72 -27.11 26.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.8 p -142.31 -84.59 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.173 . . . . 0.0 110.437 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 119.34 39.8 0.66 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.536 1.147 . . . . 0.0 111.068 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -153.12 120.79 6.0 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.599 HG12 HG13 ' A' ' 20' ' ' VAL . 29.7 m -50.28 -54.2 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.242 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.514 ' N ' HG23 ' A' ' 42' ' ' VAL . 13.9 t0 -47.33 -35.02 7.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.5 mp -81.11 -32.72 33.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 42' ' ' VAL . 18.5 m -72.98 -61.11 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.389 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.516 HD12 HD11 ' A' ' 24' ' ' LEU . 6.2 tp -41.05 -42.78 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 51' ' ' GLU . 3.3 m -72.6 -53.69 11.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.393 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -49.78 -26.49 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.928 HD13 HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -66.75 -46.85 74.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.414 ' HG ' ' N ' ' A' ' 51' ' ' GLU . 2.8 tp -89.73 -66.79 0.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 47' ' ' THR . 0.2 OUTLIER -43.1 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.41 77.52 0.93 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -103.89 -100.43 0.3 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 0.751 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.669 HG13 ' HG3' ' A' ' 38' ' ' LYS . 63.6 t 65.23 136.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.351 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.49 158.86 27.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.479 ' O ' ' CD1' ' A' ' 56' ' ' PHE . 42.4 t80 -98.56 -6.31 30.34 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 42.68 91.19 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 111.041 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 176.82 9.39 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.454 1.765 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -109.48 154.77 22.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.41 99.6 3.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.1 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -114.24 152.83 30.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 0.803 . . . . 0.0 109.972 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 m 70.2 -69.65 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.589 1.181 . . . . 0.0 109.998 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.37 121.03 0.8 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t -102.54 -56.0 2.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 0.793 . . . . 0.0 109.961 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.75 114.87 4.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.961 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.35 -112.79 0.54 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.538 1.149 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.5 m -159.36 88.01 2.08 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.551 0.795 . . . . 0.0 109.975 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 124.91 9.0 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.456 1.766 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -159.4 133.43 7.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.348 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.9 t -142.66 40.96 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 13' ' ' LEU . 46.7 mm-40 -86.87 151.42 23.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.269 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.525 HD22 ' HG2' ' A' ' 33' ' ' GLN . 0.3 OUTLIER -40.5 -49.62 2.91 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.467 1.105 . . . . 0.0 109.357 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.14 -58.49 6.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.2 m -52.79 -30.07 31.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.454 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.744 HD22 HG13 ' A' ' 42' ' ' VAL . 65.8 mt -74.1 -67.16 0.64 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.492 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -40.0 -30.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.441 ' N ' ' C ' ' A' ' 16' ' ' LEU . 24.4 mt-30 -61.7 -62.2 1.97 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -55.0 -68.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.682 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -40.52 -37.59 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 28.2 tptt -72.23 -49.08 37.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 19' ' ' ARG . 6.1 mm-40 -50.62 -25.12 3.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.257 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.0 t -96.11 -42.07 11.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.56 1.162 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.404 HD13 HD13 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -118.8 90.31 40.12 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -44.81 0.32 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.463 1.77 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -42.72 -69.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.597 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.675 HG23 ' HD2' ' A' ' 28' ' ' PRO . 2.6 p -46.07 142.81 3.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.675 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.3 Cg_endo -74.93 162.76 36.72 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.505 1.792 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.1 mt -77.34 -43.53 32.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.352 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -47.28 -54.51 10.05 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.554 1.159 . . . . 0.0 111.031 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.462 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.4 p -63.15 -47.61 91.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.794 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.462 ' N ' ' CG1' ' A' ' 31' ' ' VAL . 21.6 mt -44.45 -52.61 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.525 ' HG2' HD22 ' A' ' 13' ' ' LEU . 26.3 mt-30 -53.12 -48.41 67.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.92 -45.32 95.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -58.69 -28.96 66.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.545 HD22 HD13 ' A' ' 16' ' ' LEU . 4.0 mt -72.98 -48.36 37.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.11 -31.04 40.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.746 ' HG2' HG13 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -55.11 -32.2 61.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.347 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.3 p -135.92 -84.51 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.44 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.89 42.18 0.27 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.415 1.072 . . . . 0.0 111.019 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -160.32 120.14 2.83 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.744 HG13 HD22 ' A' ' 16' ' ' LEU . 28.5 m -49.29 -54.94 4.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.529 ' N ' HG23 ' A' ' 42' ' ' VAL . 5.4 t70 -48.44 -33.17 8.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.4 mp -81.28 -52.65 7.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 109.259 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.485 HG22 HD12 ' A' ' 49' ' ' LEU . 19.5 m -55.77 -57.83 10.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.406 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.1 tt -41.34 -39.74 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.8 m -77.37 -60.82 2.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.499 ' OD1' ' HB3' ' A' ' 53' ' ' ALA . 16.7 m-20 -45.36 -28.01 0.78 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.485 HD12 HG22 ' A' ' 45' ' ' THR . 0.2 OUTLIER -55.87 -62.28 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 mt -86.48 -63.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.77 -78.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.331 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 133.16 118.7 1.95 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.493 1.12 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.499 ' HB3' ' OD1' ' A' ' 48' ' ' ASN . . . -171.24 81.89 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 0.771 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.746 HG13 ' HG2' ' A' ' 38' ' ' LYS . 71.6 t -134.96 128.09 49.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -137.55 123.09 19.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -66.58 143.22 57.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.9 115.6 60.63 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 172.09 17.03 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.459 1.768 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.38 156.37 45.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.329 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 178.42 117.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mm . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.132 . . . . 0.0 109.262 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m 62.44 98.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 0.0 109.999 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.2 t -90.94 109.85 21.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.105 . . . . 0.0 109.97 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.25 -161.61 0.7 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.411 1.07 . . . . 0.0 111.053 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -88.48 110.35 20.78 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 0.771 . . . . 0.0 109.972 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.1 t -164.74 -58.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.427 1.079 . . . . 0.0 109.974 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.43 67.08 0.42 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.22 94.74 32.23 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.544 0.791 . . . . 0.0 110.005 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 103.62 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.465 1.771 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.58 111.0 11.83 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.2 t -115.45 41.17 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -79.03 2.46 20.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.258 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -43.63 -43.04 5.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.17 -59.89 4.14 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.8 m -48.3 -35.16 11.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.41 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.661 ' O ' HG22 ' A' ' 20' ' ' VAL . 21.6 mt -65.42 -62.34 1.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -40.2 -29.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.442 ' N ' ' C ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -61.6 -62.14 2.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.7 OUTLIER -54.92 -68.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.276 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.661 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -40.4 -39.28 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.561 1.163 . . . . 0.0 109.347 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -71.38 -49.74 39.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.9 OUTLIER -42.63 -32.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.593 1.183 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.1 t -86.72 -44.08 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.909 HD13 HD13 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -124.73 90.24 51.24 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -36.33 2.57 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 0.0 110.928 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.44 ' CD2' ' H ' ' A' ' 26' ' ' HIS . 2.7 p80 -49.3 -63.31 1.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.66 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.703 HG23 ' HD2' ' A' ' 28' ' ' PRO . 2.5 p -43.54 143.05 1.63 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.578 1.174 . . . . 0.0 109.255 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.703 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.1 Cg_endo -75.03 171.63 17.95 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.506 1.793 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.9 mt -90.01 -44.55 9.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.69 -23.72 7.05 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 0.8 OUTLIER -93.44 -44.28 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 109.322 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.697 HD12 ' O ' ' A' ' 28' ' ' PRO . 17.3 mt -53.17 -50.58 45.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -57.73 -58.66 7.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -36.63 68.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.46 -40.38 89.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 40' ' ' GLY . 22.3 mt -62.82 -36.31 82.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.86 -27.88 68.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -66.83 -36.2 81.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.372 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.3 p -125.6 -77.41 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 114.32 21.61 5.47 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.2 m -128.39 103.99 7.46 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.545 HG12 HG13 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -41.37 -41.61 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -59.12 5.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 mp -43.92 -53.47 6.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.242 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.3 m -42.32 -59.89 1.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 110.364 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.509 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.6 mt -40.41 -53.11 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 50' ' ' LEU . 1.5 m -67.16 -50.85 59.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.317 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -45.24 -49.7 12.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.909 HD13 HD13 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -49.16 -36.3 19.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 47' ' ' THR . 4.1 mt -86.4 -65.26 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.03 -89.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.234 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 128.96 51.84 0.12 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.464 1.103 . . . . 0.0 111.073 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.34 -100.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 0.737 . . . . 0.0 109.322 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.0 t 66.13 122.69 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -49.22 122.63 6.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.365 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.501 ' O ' ' CD1' ' A' ' 56' ' ' PHE . 44.4 t80 -74.65 -5.21 41.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.98 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.9 mtt 39.98 90.82 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 129.16 12.04 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.788 . . . . 0.0 110.991 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.453 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 4.7 tt0 -41.32 152.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 59' ' ' GLU . 23.8 t0 78.53 128.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 70.6 -63.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.748 . . . . 0.0 110.0 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 m 62.52 147.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.013 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.52 92.69 1.74 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.0 p -98.36 111.9 24.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 0.814 . . . . 0.0 110.046 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.8 m 62.54 131.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.01 108.8 2.79 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 63.7 p -167.16 150.11 5.91 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.548 0.793 . . . . 0.0 110.017 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 79.96 2.55 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -177.57 139.75 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.551 ' O ' HG12 ' A' ' 11' ' ' VAL . 42.0 t -94.05 37.09 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.537 ' O ' HD12 ' A' ' 16' ' ' LEU . 3.0 tt0 58.07 164.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.614 HD23 HD12 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -87.26 -54.11 4.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.81 -55.05 2.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.402 ' O ' ' CB ' ' A' ' 18' ' ' GLN . 98.9 m -58.79 -64.33 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.153 . . . . 0.0 110.459 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.82 ' O ' HG22 ' A' ' 20' ' ' VAL . 66.9 mt -45.61 -64.67 0.68 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.484 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -39.94 -37.04 0.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.402 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.9 OUTLIER -62.08 -51.15 69.1 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.414 1.071 . . . . 0.0 110.337 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.8 OUTLIER -66.21 -68.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.338 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.876 HG13 HG12 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -39.93 -41.3 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.578 1.174 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 19.5 tptt -71.26 -48.22 52.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.087 . . . . 0.0 109.385 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.7 OUTLIER -47.74 -41.7 23.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.7 t -74.22 -40.66 50.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 21' ' ' LYS . 13.1 mt -132.54 90.64 32.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -23.31 13.91 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.448 1.762 . . . . 0.0 111.038 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -54.73 -61.89 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.549 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.854 HG13 HD11 ' A' ' 32' ' ' ILE . 2.5 p -50.89 143.02 15.94 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.79 ' O ' HD12 ' A' ' 32' ' ' ILE . 18.0 Cg_endo -75.11 165.5 31.03 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.471 1.774 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.452 ' CD2' ' HB1' ' A' ' 17' ' ' ALA . 17.7 mt -81.76 -41.59 20.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -49.42 -44.15 35.85 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.4 p -73.93 -47.62 42.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.466 0.744 . . . . 0.0 109.263 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.854 HD11 HG13 ' A' ' 27' ' ' VAL . 14.7 mt -52.11 -50.48 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.25 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.507 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 37.5 mt-30 -50.95 -39.82 55.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -42.77 37.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.09 -35.24 69.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.614 HD12 HD23 ' A' ' 13' ' ' LEU . 39.7 mt -64.36 -51.49 63.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.345 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.4 -22.61 54.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.684 ' CG ' HG13 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -66.64 -32.72 74.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.9 p -139.23 -76.75 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.397 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.52 35.16 1.21 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.569 1.168 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.3 m -146.14 109.15 4.61 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.876 HG12 HG13 ' A' ' 20' ' ' VAL . 15.9 m -40.71 -54.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.479 ' N ' HG23 ' A' ' 42' ' ' VAL . 8.5 t0 -45.05 -46.06 11.22 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 41' ' ' CYS . 4.1 mp -65.8 -51.74 56.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.0 m -46.3 -49.29 17.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 110.375 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.449 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.6 mt -49.18 -53.78 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.356 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 m -65.64 -49.99 66.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.442 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -43.95 -39.59 4.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.093 . . . . 0.0 109.251 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.674 HD21 HG21 ' A' ' 27' ' ' VAL . 27.4 mt -64.69 -51.17 63.88 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -48.8 -67.21 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.142 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -92.77 -83.62 0.3 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -169.29 -77.67 0.04 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.489 1.118 . . . . 0.0 110.956 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 57.77 70.76 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.317 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.684 HG13 ' CG ' ' A' ' 38' ' ' LYS . 68.7 t -129.51 124.08 58.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.28 82.53 7.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -43.48 152.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.05 151.96 62.43 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 111.019 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.413 ' O ' HG23 ' A' ' 61' ' ' ILE . 18.3 Cg_endo -74.93 165.04 32.23 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.485 1.781 . . . . 0.0 111.064 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -102.54 167.03 10.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 45.4 t0 54.85 29.0 11.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.413 HG23 ' O ' ' A' ' 58' ' ' PRO . 1.9 pp . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 p -70.51 101.32 1.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.788 . . . . 0.0 109.969 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -106.49 165.45 11.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 110.02 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.97 -87.58 0.1 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.575 1.172 . . . . 0.0 110.97 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.9 p -157.63 79.99 0.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 0.723 . . . . 0.0 109.974 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.5 t -170.51 132.01 0.95 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 109.951 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.96 70.82 2.48 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.79 150.08 0.12 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.048 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 99.06 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 110.97 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -111.37 104.3 12.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.507 ' O ' HG12 ' A' ' 11' ' ' VAL . 37.5 t -90.88 40.88 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -59.53 157.75 10.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.488 ' CD2' HD13 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -48.53 -40.66 27.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.233 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.61 -46.62 77.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 39.0 m -63.98 -12.37 37.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.431 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.88 ' O ' HG22 ' A' ' 20' ' ' VAL . 76.1 mt -92.48 -65.09 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.495 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . . . -48.3 -36.45 14.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -62.6 -38.38 89.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -78.59 -68.39 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.311 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.88 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -40.47 -40.07 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.606 1.191 . . . . 0.0 109.367 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.477 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 34.7 tptt -67.71 -49.18 64.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.241 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -53.73 -45.87 70.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.2 t -70.91 -37.54 68.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.765 HD13 HD13 ' A' ' 49' ' ' LEU . 11.3 mt -134.58 90.6 23.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -31.47 6.21 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.438 1.757 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -47.27 -67.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.587 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.868 HG13 HD11 ' A' ' 32' ' ' ILE . 2.5 p -45.81 142.93 3.45 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.382 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.687 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.2 Cg_endo -74.92 158.65 42.37 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.432 1.754 . . . . 0.0 110.968 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.8 mt -73.82 -40.38 63.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -48.74 -55.39 11.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.549 1.156 . . . . 0.0 111.05 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.48 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 2.0 p -65.55 -49.42 78.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.477 0.751 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.868 HD11 HG13 ' A' ' 27' ' ' VAL . 41.6 mt -44.02 -46.36 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -56.26 -45.0 80.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -58.12 3.79 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.519 1.137 . . . . 0.0 110.238 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.3 -27.7 1.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.488 HD13 ' CD2' ' A' ' 13' ' ' LEU . 13.4 mt -73.77 -55.41 6.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.51 -29.15 15.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.358 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.431 ' HG2' HG13 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -58.88 -44.08 91.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.464 HG21 HD21 ' A' ' 48' ' ' ASN . 11.2 p -119.74 -70.71 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.369 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 110.95 12.97 14.58 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.12 . . . . 0.0 111.079 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.48 ' HB2' HD22 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -127.16 112.24 14.92 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.471 HG23 ' N ' ' A' ' 43' ' ' ASP . 15.9 m -41.23 -54.48 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.471 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -47.23 -54.45 10.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.534 1.147 . . . . 0.0 109.275 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.48 HD22 ' HB2' ' A' ' 41' ' ' CYS . 7.8 mp -53.93 -45.02 71.12 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.462 1.102 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 49.6 m -56.42 -51.54 67.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 110.351 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.521 ' HA ' HD12 ' A' ' 49' ' ' LEU . 1.6 mt -41.18 -42.62 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 m -82.73 -48.7 10.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.39 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.464 HD21 HG21 ' A' ' 39' ' ' THR . 26.8 m-20 -46.17 -40.06 10.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.765 HD13 HD13 ' A' ' 24' ' ' LEU . 4.6 mt -52.85 -53.31 50.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.6 mt -76.66 -67.82 0.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.35 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.19 -85.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.345 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 158.34 -89.39 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 50.8 80.97 0.07 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.459 0.74 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.431 HG13 ' HG2' ' A' ' 38' ' ' LYS . 64.2 t -136.23 129.37 46.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -137.21 137.06 38.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -62.52 155.79 24.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.47 153.01 27.32 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 157.24 42.6 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.475 1.777 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.431 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 17.3 pt-20 -110.16 137.55 47.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.336 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 59' ' ' GLU . 6.1 t0 77.29 128.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.238 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.5 pt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 p -126.26 104.86 8.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.969 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 m -161.81 159.86 27.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.38 122.23 1.05 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.16 101.66 7.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 0.777 . . . . 0.0 110.003 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.0 t 61.74 140.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.02 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.23 93.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.437 1.086 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.6 p 178.33 150.26 0.42 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.483 0.755 . . . . 0.0 110.014 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -179.78 5.33 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.504 ' O ' HG21 ' A' ' 15' ' ' THR . 1.2 t0 179.71 129.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.355 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.579 ' CG1' HD21 ' A' ' 16' ' ' LEU . 39.2 t -111.86 41.13 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -63.24 167.37 5.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.412 1.07 . . . . 0.0 110.219 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.96 -57.17 10.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.03 -58.16 3.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.504 HG21 ' O ' ' A' ' 10' ' ' ASP . 18.8 m -51.4 -40.54 59.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.406 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.889 ' O ' HG22 ' A' ' 20' ' ' VAL . 60.0 mt -68.42 -63.48 1.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.492 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . . . -40.48 -29.96 0.1 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.436 ' N ' ' C ' ' A' ' 16' ' ' LEU . 0.9 OUTLIER -62.31 -74.22 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -43.57 -66.69 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.889 HG22 ' O ' ' A' ' 16' ' ' LEU . 2.0 m -40.19 -42.59 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -69.97 -46.61 64.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 109.272 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -49.65 -37.66 29.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.7 t -82.0 -32.58 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.557 ' HB3' ' CE1' ' A' ' 26' ' ' HIS . 0.7 OUTLIER -135.15 87.27 29.17 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.03 -25.71 11.56 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.538 1.809 . . . . 0.0 110.949 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.557 ' CE1' ' HB3' ' A' ' 24' ' ' LEU . 4.5 p80 -58.5 -57.24 13.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.636 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.682 HG23 ' HD2' ' A' ' 28' ' ' PRO . 2.6 p -49.45 142.8 10.93 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.682 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.1 Cg_endo -75.08 161.62 38.25 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.463 1.77 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.408 ' HA ' HD12 ' A' ' 32' ' ' ILE . 13.3 mt -81.47 -31.08 33.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.83 -45.82 95.73 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.453 1.095 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.445 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.4 p -67.81 -47.35 79.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.386 0.698 . . . . 0.0 109.361 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.542 HD11 HG13 ' A' ' 27' ' ' VAL . 52.3 mt -52.43 -57.74 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -38.93 -31.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.411 ' N ' ' C ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -89.51 -54.69 3.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 110.307 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.92 -29.09 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 32.6 mt -70.69 -54.32 12.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.237 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.7 -21.25 10.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.098 . . . . 0.0 109.213 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.419 ' CG ' HG13 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -62.2 -55.11 31.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.411 1.069 . . . . 0.0 109.374 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.4 p -118.1 -70.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.405 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.89 28.84 3.51 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.2 m -133.85 110.87 10.05 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.636 HG13 HD22 ' A' ' 16' ' ' LEU . 10.0 m -42.91 -49.93 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.99 -43.45 73.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 41' ' ' CYS . 8.1 mp -64.94 -50.47 66.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.356 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.591 HG21 HG11 ' A' ' 20' ' ' VAL . 4.0 m -41.89 -51.67 4.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.481 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.6 mt -43.67 -61.29 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.264 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.8 m -56.88 -54.19 49.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.39 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.679 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 2.6 m-20 -43.1 -49.99 6.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.513 HD11 HG21 ' A' ' 27' ' ' VAL . 13.3 mt -64.87 -44.8 88.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.25 -66.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -100.42 -84.75 0.42 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.459 1.099 . . . . 0.0 110.325 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -155.59 -73.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.57 1.169 . . . . 0.0 111.024 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.679 ' HB3' ' HA ' ' A' ' 48' ' ' ASN . . . 49.43 79.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 0.723 . . . . 0.0 109.236 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.419 HG13 ' CG ' ' A' ' 38' ' ' LYS . 67.4 t -134.97 131.36 52.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 109.275 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -113.25 87.5 2.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.602 1.189 . . . . 0.0 109.359 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -48.61 156.24 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 7.0 mmt -110.68 152.35 43.41 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -178.74 4.37 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.508 1.794 . . . . 0.0 110.996 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -118.81 165.49 13.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.1 p-10 -130.66 95.26 3.81 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.5 pp . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.1 t 64.64 110.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.514 0.773 . . . . 0.0 110.01 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.5 m -125.85 101.53 6.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.9 136.71 8.58 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.8 114.44 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 0.737 . . . . 0.0 109.941 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m 62.32 142.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.558 1.161 . . . . 0.0 110.013 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.48 -90.19 0.11 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.48 1.112 . . . . 0.0 111.028 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.7 m -142.32 93.23 7.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.546 0.792 . . . . 0.0 109.967 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 163.87 34.57 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.464 1.771 . . . . 0.0 111.027 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -177.52 143.94 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.483 HG12 HG21 ' A' ' 15' ' ' THR . 13.7 t -90.98 41.31 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.648 ' OE1' ' HB3' ' A' ' 14' ' ' ALA . 0.9 OUTLIER 61.93 164.45 0.09 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.472 1.108 . . . . 0.0 110.22 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 mt -87.97 -54.82 4.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.341 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.648 ' HB3' ' OE1' ' A' ' 12' ' ' GLN . . . -44.6 -61.29 1.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.483 HG21 HG12 ' A' ' 11' ' ' VAL . 1.5 m -39.16 -57.19 1.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.413 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.779 ' O ' HG22 ' A' ' 20' ' ' VAL . 47.0 mt -55.36 -54.87 38.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.495 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -39.94 -35.05 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.231 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -61.93 -54.71 38.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 22' ' ' GLU . 3.7 mtt-85 -62.29 -68.22 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 110.265 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.81 HG13 HG12 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -40.11 -42.39 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.753 ' HD3' HD21 ' A' ' 29' ' ' LEU . 4.0 tptm -65.51 -49.78 67.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 19' ' ' ARG . 1.7 tm-20 -48.19 -45.1 33.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.604 HG12 ' HG ' ' A' ' 24' ' ' LEU . 40.3 t -67.68 -44.24 86.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.604 ' HG ' HG12 ' A' ' 23' ' ' VAL . 12.2 mt -132.78 91.92 28.14 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -23.23 13.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.417 1.746 . . . . 0.0 110.977 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -58.97 -59.72 5.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.579 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.754 HG13 HD11 ' A' ' 32' ' ' ILE . 2.5 p -45.37 143.09 2.88 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.69 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.4 Cg_endo -74.95 167.43 27.07 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.544 1.812 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.753 HD21 ' HD3' ' A' ' 21' ' ' LYS . 43.5 mt -82.03 -48.56 11.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -44.37 -43.73 7.66 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.468 1.105 . . . . 0.0 111.07 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 0.8 OUTLIER -74.52 -48.63 34.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.552 0.795 . . . . 0.0 109.286 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.754 HD11 HG13 ' A' ' 27' ' ' VAL . 26.8 mt -48.54 -57.92 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -41.68 -50.02 4.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.31 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -58.75 3.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.43 1.081 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -40.61 -39.84 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.268 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 40' ' ' GLY . 41.4 mt -56.39 -60.79 3.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.19 -39.24 69.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.246 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.819 ' HG2' HG13 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -43.53 -50.06 7.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.883 HG21 ' OD1' ' A' ' 48' ' ' ASN . 22.0 p -110.74 -72.08 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.366 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 113.42 31.54 2.36 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 0.0 111.05 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -153.82 110.81 3.41 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.81 HG12 HG13 ' A' ' 20' ' ' VAL . 12.2 m -40.74 -50.39 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -56.0 -57.15 13.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 mp -48.91 -49.3 40.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.5 m -49.54 -57.28 7.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.4 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.454 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.5 mt -42.43 -52.03 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -67.8 -45.16 75.56 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.404 1.065 . . . . 0.0 110.409 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.883 ' OD1' HG21 ' A' ' 39' ' ' THR . 32.5 m120 -52.94 -37.63 61.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.433 1.083 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.2 mt -61.85 -59.48 5.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.269 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -54.17 -63.51 1.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -51.8 -75.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.27 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.81 65.03 0.47 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.425 1.078 . . . . 0.0 110.952 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.31 -99.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 109.354 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.819 HG13 ' HG2' ' A' ' 38' ' ' LYS . 92.2 t 65.27 129.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.01 124.9 21.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -100.49 168.15 9.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 111.041 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.69 112.99 12.98 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.932 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 104.47 1.91 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.456 1.766 . . . . 0.0 111.023 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 63.38 166.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 63.14 123.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 65.5 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 0.0 109.269 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t 63.54 99.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.98 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.7 t -143.69 124.12 13.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.996 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.89 -163.6 14.28 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.519 1.137 . . . . 0.0 111.046 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.84 166.51 11.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.764 . . . . 0.0 109.992 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.11 168.46 11.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.969 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.36 143.19 3.78 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.5 m -169.95 159.59 6.72 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.455 0.738 . . . . 0.0 110.022 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 56.06 4.14 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.369 1.721 . . . . 0.0 110.953 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t0 176.6 121.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.626 ' O ' HG12 ' A' ' 11' ' ' VAL . 61.4 t -111.64 38.06 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.22 2.17 25.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.605 1.191 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.433 HD23 HD13 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -50.53 -54.32 23.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.33 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.1 -58.13 3.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.1 m -48.93 -38.2 22.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.442 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.885 HD22 HG13 ' A' ' 42' ' ' VAL . 77.3 mt -71.25 -62.88 1.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.494 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -40.0 -32.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.415 ' N ' ' C ' ' A' ' 16' ' ' LEU . 7.2 mt-30 -61.73 -58.73 6.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -57.72 -68.03 0.28 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.725 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -40.77 -41.14 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 7.0 tptt -70.68 -46.0 63.99 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 19' ' ' ARG . 6.1 tt0 -56.78 -44.0 81.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.9 t -74.87 -38.68 44.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.354 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.2 mt -132.67 90.75 31.94 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -40.8 0.8 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -39.87 -67.6 0.22 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.557 1.161 . . . . 0.0 109.663 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.668 HG23 ' HD2' ' A' ' 28' ' ' PRO . 2.7 p -44.11 142.73 2.06 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.229 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.668 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.3 Cg_endo -75.0 170.02 21.34 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.468 1.773 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.3 mt -84.81 -45.58 12.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -46.67 -38.75 10.02 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.418 1.074 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.444 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.2 p -79.1 -46.3 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 109.239 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.547 HD11 HG13 ' A' ' 27' ' ' VAL . 40.3 mt -49.17 -58.14 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -48.73 -47.27 41.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.274 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.529 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 0.6 OUTLIER -64.94 -58.24 6.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 110.3 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 38' ' ' LYS . 6.9 t70 -45.6 -54.68 7.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 40' ' ' GLY . 19.0 mt -44.44 -53.57 6.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -40.74 -35.22 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 35' ' ' ASP . 3.7 mmmm -65.06 -53.59 43.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 36' ' ' LEU . 76.0 p -95.37 -74.46 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.444 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 89.41 35.83 7.79 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -160.06 111.02 1.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.885 HG13 HD22 ' A' ' 16' ' ' LEU . 26.9 m -40.46 155.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 42' ' ' VAL . 2.3 t70 81.5 -53.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.1 -34.78 68.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.357 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.5 m -69.56 -50.88 40.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.598 1.186 . . . . 0.0 110.431 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.3 mp -43.98 -68.23 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.273 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 51' ' ' GLU . 12.4 m -49.0 -52.34 25.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 1.074 . . . . 0.0 110.385 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -48.93 -39.83 27.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.89 -34.67 65.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.6 tp -93.86 -67.93 0.83 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' THR . 0.9 OUTLIER -64.99 -93.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.088 . . . . 0.0 110.294 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.43 -100.21 0.14 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.483 1.114 . . . . 0.0 111.049 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 54.53 65.36 1.52 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 0.771 . . . . 0.0 109.355 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.443 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 77.4 t -125.22 152.34 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 54' ' ' VAL . . . 178.84 147.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -72.23 151.44 42.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.43 152.22 49.47 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 111.069 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 158.08 42.62 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.526 1.803 . . . . 0.0 111.015 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.466 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER 55.32 167.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.466 ' CB ' ' O ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER 158.81 132.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.2 pt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.91 103.26 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 0.777 . . . . 0.0 110.02 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.9 p -93.07 151.96 19.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.958 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.02 146.45 16.56 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.12 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.75 79.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 109.983 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 40.67 84.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.03 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 39.01 92.12 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.448 1.092 . . . . 0.0 111.047 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.4 150.38 9.24 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.558 0.799 . . . . 0.0 109.954 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 85.76 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.782 . . . . 0.0 111.038 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -164.41 130.27 2.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.554 HG12 ' N ' ' A' ' 12' ' ' GLN . 36.9 t -126.12 -118.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.554 ' N ' HG12 ' A' ' 11' ' ' VAL . 43.3 mm-40 -119.55 151.77 38.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.252 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.45 HD21 ' HA ' ' A' ' 33' ' ' GLN . 0.1 OUTLIER -41.98 -61.47 1.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 109.326 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.09 -60.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.387 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.9 m -48.17 -46.71 34.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.389 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.844 ' O ' HG22 ' A' ' 20' ' ' VAL . 90.9 mt -63.82 -66.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.467 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -39.62 -39.86 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -60.58 -50.37 73.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 16' ' ' LEU . 54.5 mtt-85 -66.49 -68.28 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.844 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -40.08 -38.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.467 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 7.9 tptt -67.95 -52.89 30.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.365 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.4 OUTLIER -42.77 -45.69 4.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.326 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 55.6 t -69.22 -48.63 67.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.356 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.667 ' O ' HG12 ' A' ' 27' ' ' VAL . 11.5 mt -123.73 90.78 50.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.363 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.401 ' HA ' ' HD2' ' A' ' 21' ' ' LYS . 18.3 Cg_endo -74.94 -21.4 16.04 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 110.995 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -62.09 -57.96 9.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.603 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 1.086 HG13 HD11 ' A' ' 32' ' ' ILE . 7.1 p -47.6 141.44 7.2 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.568 ' O ' HD12 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.92 163.31 35.71 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.479 1.778 . . . . 0.0 111.021 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 80.4 mt -79.28 -40.92 29.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.52 -44.16 45.96 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.459 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.2 p -75.44 -47.27 35.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.462 0.742 . . . . 0.0 109.255 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 1.086 HD11 HG13 ' A' ' 27' ' ' VAL . 41.7 mt -49.97 -45.25 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.45 ' HA ' HD21 ' A' ' 13' ' ' LEU . 61.8 mt-30 -56.93 -46.89 81.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.33 -56.87 7.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -45.41 -43.91 11.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 36' ' ' LEU . 14.5 mt -52.25 -58.74 5.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 109.243 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.21 -40.89 78.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.231 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.756 ' HG2' HG13 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -45.38 -30.4 1.32 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.647 HG21 HD21 ' A' ' 48' ' ' ASN . 5.6 p -134.16 -98.71 0.26 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.52 1.138 . . . . 0.0 110.454 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 137.82 44.83 0.08 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.112 . . . . 0.0 111.04 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -161.16 114.27 1.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.689 HG13 HD22 ' A' ' 16' ' ' LEU . 12.2 m -41.31 -50.38 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.12 -53.03 56.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.403 HD23 ' HB ' ' A' ' 39' ' ' THR . 6.2 mp -51.16 -54.09 28.58 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.46 HG21 HG11 ' A' ' 20' ' ' VAL . 52.0 m -43.1 -56.85 3.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 110.463 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.426 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.6 mt -44.26 -65.35 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 51' ' ' GLU . 5.6 m -53.6 -55.84 22.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 110.392 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.647 HD21 HG21 ' A' ' 39' ' ' THR . 89.1 m-20 -41.64 -49.24 4.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 43.6 mt -55.44 -59.23 5.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 mt -56.83 -66.02 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.365 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' THR . 0.1 OUTLIER -53.39 -78.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 48' ' ' ASN . . . 117.11 65.53 0.35 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.473 1.108 . . . . 0.0 110.954 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.54 -100.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.756 HG13 ' HG2' ' A' ' 38' ' ' LYS . 77.9 t 64.42 134.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -101.69 133.78 45.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.48 ' O ' ' CD1' ' A' ' 56' ' ' PHE . 46.1 t80 -85.72 -5.82 59.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 111.043 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.8 mtt 41.21 91.32 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 139.28 24.2 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.474 1.776 . . . . 0.0 111.028 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.1 144.09 24.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.255 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -168.27 110.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.1 pp . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.8 128.19 54.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 0.783 . . . . 0.0 110.028 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.24 105.43 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.968 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.38 -176.84 28.95 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 111.058 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.68 117.52 34.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 0.795 . . . . 0.0 109.942 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.53 168.95 18.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.029 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.472 ' O ' ' CB ' ' A' ' 8' ' ' SER . . . -110.33 -74.17 0.76 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.493 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.1 OUTLIER 161.85 -51.73 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.461 0.742 . . . . 0.0 110.003 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 8' ' ' SER . 18.2 Cg_endo -75.02 89.89 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.397 1.735 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -102.93 97.54 7.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.432 ' O ' HG12 ' A' ' 11' ' ' VAL . 21.3 t -132.22 40.15 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.407 1.067 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -87.38 157.23 19.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.339 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.491 ' CD2' ' HA ' ' A' ' 33' ' ' GLN . 0.1 OUTLIER -40.45 -51.7 2.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.58 -60.48 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.8 m -51.32 -57.97 7.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.429 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.808 ' O ' HG22 ' A' ' 20' ' ' VAL . 66.9 mt -47.68 -65.83 0.5 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.479 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -39.83 -37.9 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.92 -52.64 64.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.588 1.18 . . . . 0.0 110.289 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 22' ' ' GLU . 15.9 mmt-85 -63.98 -68.33 0.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.344 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.808 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -40.17 -39.56 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.52 1.138 . . . . 0.0 109.36 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 29.0 tptt -67.8 -49.94 59.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.087 . . . . 0.0 109.273 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 19' ' ' ARG . 13.2 mm-40 -45.69 -47.17 15.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.353 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.445 HG12 ' HG ' ' A' ' 24' ' ' LEU . 72.8 t -69.52 -46.96 74.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.445 ' HG ' HG12 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -122.85 90.66 50.04 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -41.22 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.505 1.792 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -41.18 -62.81 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.646 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.817 HG13 HD11 ' A' ' 32' ' ' ILE . 2.9 p -49.62 142.65 11.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.684 ' O ' HD12 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.98 163.04 36.16 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.447 1.762 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 23.7 mt -79.48 -39.66 31.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.355 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.27 -47.41 42.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.54 1.15 . . . . 0.0 111.058 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.7 p -71.95 -48.97 47.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.48 0.753 . . . . 0.0 109.367 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.817 HD11 HG13 ' A' ' 27' ' ' VAL . 14.6 mt -45.51 -51.03 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.491 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 65.2 mt-30 -45.5 -62.02 1.45 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 110.279 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.418 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -60.52 -40.44 91.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.242 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -57.65 -36.78 72.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.513 HD21 HG11 ' A' ' 20' ' ' VAL . 65.2 mt -66.0 -24.48 66.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -78.3 -32.56 49.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.421 ' CB ' HG13 ' A' ' 54' ' ' VAL . 0.4 OUTLIER -62.62 -45.88 90.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.2 p -102.74 -80.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.386 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.79 23.35 6.23 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.523 1.14 . . . . 0.0 111.038 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -150.52 111.51 4.33 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.557 HG12 HG13 ' A' ' 20' ' ' VAL . 13.3 m -41.2 -51.58 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.423 ' N ' HG23 ' A' ' 42' ' ' VAL . 8.2 t0 -53.99 -54.03 44.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.356 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 tp -54.6 -50.46 68.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.235 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.476 HG22 HD12 ' A' ' 49' ' ' LEU . 90.4 m -42.94 -57.33 2.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.346 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mt -50.03 -67.66 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 50' ' ' LEU . 1.1 m -47.82 -61.21 2.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.098 . . . . 0.0 110.443 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -46.27 -41.47 13.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.476 HD12 HG22 ' A' ' 45' ' ' THR . 5.2 mt -65.0 -37.35 87.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.397 1.061 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.735 ' C ' HD12 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -64.47 -68.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -55.52 -31.74 62.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.57 58.84 2.98 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.542 1.151 . . . . 0.0 111.059 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.0 -100.35 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 109.367 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.438 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 66.4 t 65.83 142.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 54' ' ' VAL . . . 68.45 92.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 109.26 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -83.81 159.03 21.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.29 153.4 39.67 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 111.071 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 119.91 5.85 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.528 1.804 . . . . 0.0 111.063 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -71.39 162.55 29.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -140.57 29.01 1.96 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 29.9 mm . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -168.59 -58.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 0.731 . . . . 0.0 110.012 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.2 p -64.89 170.22 4.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.997 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.14 -132.74 11.42 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.91 116.1 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 0.0 110.003 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.0 t -52.15 -54.76 26.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 0.0 110.025 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.0 71.12 0.36 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.476 1.11 . . . . 0.0 111.029 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.47 148.53 85.9 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.467 0.745 . . . . 0.0 109.971 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 61.48 5.69 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.421 1.748 . . . . 0.0 111.001 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.0 p30 -115.07 99.92 7.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.644 ' O ' HG12 ' A' ' 11' ' ' VAL . 83.0 t -109.81 39.16 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 16' ' ' LEU . 1.4 mt-30 -80.18 2.11 25.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.348 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.489 HD23 HD12 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -52.42 -56.2 16.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.89 -62.06 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.0 m -52.01 -29.06 19.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.418 1.074 . . . . 0.0 110.354 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.785 ' O ' HG22 ' A' ' 20' ' ' VAL . 28.9 mt -76.22 -64.52 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.546 ' O ' HG23 ' A' ' 20' ' ' VAL . . . -40.24 -29.97 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.434 ' N ' ' C ' ' A' ' 16' ' ' LEU . 23.8 mt-30 -61.79 -74.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.289 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 20' ' ' VAL . 3.9 mtt85 -41.16 -66.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.313 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.785 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.9 OUTLIER -39.49 -68.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 109.284 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.699 ' H ' HG23 ' A' ' 20' ' ' VAL . 22.8 tptt -47.9 -43.2 28.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -52.25 -43.91 64.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.443 1.09 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.6 t -77.5 -41.37 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.35 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.681 HD13 HD13 ' A' ' 49' ' ' LEU . 16.4 mt -130.26 91.8 37.68 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.24 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.408 ' HA ' ' HG3' ' A' ' 21' ' ' LYS . 18.2 Cg_endo -75.0 -33.21 4.76 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.498 1.788 . . . . 0.0 110.977 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -42.45 -58.28 2.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.593 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.783 HG11 HD11 ' A' ' 49' ' ' LEU . 3.6 p -56.36 142.37 68.63 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.629 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.3 Cg_endo -74.96 161.05 39.51 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.803 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.8 mt -79.2 -35.3 41.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.413 1.071 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.79 -49.48 70.36 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.559 1.162 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.3 p -64.82 -46.25 92.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.721 HD11 HG13 ' A' ' 27' ' ' VAL . 40.6 mt -53.44 -57.95 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -41.51 -38.36 1.29 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.334 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.86 -50.77 9.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.248 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.62 -28.33 20.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.489 HD12 HD23 ' A' ' 13' ' ' LEU . 18.0 mt -63.88 -53.63 47.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.33 -32.4 68.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.763 ' HG2' HG13 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -53.29 -36.32 61.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.4 p -134.81 -78.55 0.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.429 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.32 33.08 1.52 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -141.68 108.11 5.3 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.744 HG13 HD22 ' A' ' 16' ' ' LEU . 18.2 m -40.78 -56.49 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.513 ' N ' HG23 ' A' ' 42' ' ' VAL . 35.2 t0 -45.89 -48.36 16.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.2 mp -58.8 -56.54 20.85 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.45 1.093 . . . . 0.0 109.316 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.0 m -43.68 -57.16 3.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.456 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.6 mt -42.24 -58.27 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.093 . . . . 0.0 109.309 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.4 HG22 ' HB2' ' A' ' 51' ' ' GLU . 8.6 m -63.65 -59.46 4.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 110.44 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.428 ' CG ' ' HB3' ' A' ' 53' ' ' ALA . 9.5 m-20 -40.73 -40.46 1.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.783 HD11 HG11 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -40.54 -60.26 1.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.263 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 mt -88.79 -65.56 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.4 ' HB2' HG22 ' A' ' 47' ' ' THR . 0.1 OUTLIER -39.01 -60.11 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.15 117.91 4.4 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.428 ' HB3' ' CG ' ' A' ' 48' ' ' ASN . . . -156.87 79.57 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 0.789 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.763 HG13 ' HG2' ' A' ' 38' ' ' LYS . 79.2 t -134.04 131.75 55.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -114.21 130.74 56.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.485 ' O ' ' CD1' ' A' ' 56' ' ' PHE . 42.6 t80 -89.02 -6.0 57.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.9 mmt 39.92 92.58 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.401 1.063 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 169.29 22.93 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.54 1.81 . . . . 0.0 111.073 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 1.0 OUTLIER -124.81 155.36 39.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.397 1.061 . . . . 0.0 110.242 -179.913 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.446 ' CB ' ' O ' ' A' ' 59' ' ' GLU . 5.9 t70 78.08 128.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 44.0 mm . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.3 p -129.71 -58.51 1.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 110.019 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.25 163.49 13.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.034 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.02 -157.24 27.87 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 57.84 103.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 0.735 . . . . 0.0 110.016 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 m 58.62 110.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.99 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.03 -112.31 3.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.92 91.74 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.771 . . . . 0.0 109.996 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 135.63 19.25 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.502 1.791 . . . . 0.0 110.959 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 11' ' ' VAL . 9.8 t70 -170.12 133.55 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.796 ' O ' HG12 ' A' ' 11' ' ' VAL . 53.2 t 36.66 41.76 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -100.76 177.89 4.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.646 HD23 HD13 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -50.64 -46.06 58.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.26 -55.63 29.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.4 m -46.67 -35.79 6.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.342 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.753 ' O ' HG22 ' A' ' 20' ' ' VAL . 51.5 mt -72.12 -63.9 1.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.47 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -40.12 -30.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.442 ' N ' ' C ' ' A' ' 16' ' ' LEU . 41.5 mm-40 -66.14 -53.72 34.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -64.78 -67.14 0.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.428 1.08 . . . . 0.0 110.301 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.753 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -39.86 -37.19 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.293 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.595 ' HZ3' ' HG ' ' A' ' 29' ' ' LEU . 5.4 tptm -77.71 -53.12 7.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.38 -42.4 10.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 110.322 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.8 t -77.23 -43.82 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.682 HD13 HD13 ' A' ' 49' ' ' LEU . 3.8 mt -115.69 90.42 26.46 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.459 1.1 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -14.91 21.03 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.418 1.746 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.455 ' O ' ' CD2' ' A' ' 26' ' ' HIS . 42.5 p-80 -94.0 70.62 3.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 1.115 . . . . 0.0 109.662 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.812 HG13 HD11 ' A' ' 32' ' ' ILE . 2.5 p -176.93 142.95 0.54 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.714 ' O ' HD12 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.97 157.28 42.97 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.516 1.798 . . . . 0.0 110.937 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.595 ' HG ' ' HZ3' ' A' ' 21' ' ' LYS . 81.1 mt -80.45 -37.88 31.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -55.13 -43.11 83.51 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.467 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.1 p -74.35 -47.36 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 0.789 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.812 HD11 HG13 ' A' ' 27' ' ' VAL . 15.4 mt -49.39 -51.11 15.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 109.214 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -48.06 -56.68 7.16 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.53 1.143 . . . . 0.0 110.349 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.92 -42.05 97.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.7 -31.64 66.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.646 HD13 HD23 ' A' ' 13' ' ' LEU . 10.0 mt -69.71 -53.74 17.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.28 -25.96 60.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.711 ' CG ' HG13 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -56.45 -25.25 50.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 p -138.64 -70.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 0.0 110.34 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.82 28.87 2.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.444 1.09 . . . . 0.0 111.018 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -153.44 123.17 6.79 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.726 HG13 HD22 ' A' ' 16' ' ' LEU . 23.4 m -50.94 -53.46 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.494 ' N ' HG23 ' A' ' 42' ' ' VAL . 22.4 t0 -53.76 -21.76 7.96 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mp -89.93 -32.32 16.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.9 m -73.67 -45.82 50.22 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.588 HG13 HD11 ' A' ' 24' ' ' LEU . 1.3 tt -57.81 -52.42 58.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.481 ' N ' HG23 ' A' ' 46' ' ' ILE . 33.5 m -59.46 -60.93 3.07 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.563 1.164 . . . . 0.0 110.405 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.492 ' ND2' ' HB3' ' A' ' 53' ' ' ALA . 6.0 m-20 -43.93 -43.87 6.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.682 HD13 HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -48.08 -43.1 30.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 47' ' ' THR . 1.5 mt -91.46 -67.83 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 47' ' ' THR . 5.8 mm-40 -42.71 -82.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.122 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.6 105.52 1.82 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 111.067 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.492 ' HB3' ' ND2' ' A' ' 48' ' ' ASN . . . -132.21 -99.93 0.29 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 0.753 . . . . 0.0 109.322 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.711 HG13 ' CG ' ' A' ' 38' ' ' LYS . 55.8 t 66.49 137.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.098 . . . . 0.0 109.279 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 54' ' ' VAL . . . 70.52 140.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -81.08 156.49 25.79 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.546 1.154 . . . . 0.0 110.974 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.72 115.29 65.17 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.125 . . . . 0.0 110.956 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 175.38 11.32 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.445 1.76 . . . . 0.0 110.991 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.42 157.66 42.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -157.49 108.27 2.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.2 pt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.959 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m -79.75 168.13 19.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 110.039 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.86 155.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.021 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.55 103.66 1.78 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 111.043 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.96 -58.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.78 . . . . 0.0 110.021 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.4 m -105.07 161.26 14.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.28 -171.47 15.95 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.418 1.074 . . . . 0.0 111.028 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.75 94.0 31.15 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.539 0.788 . . . . 0.0 109.985 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 177.08 9.07 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.495 1.787 . . . . 0.0 110.969 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -135.68 113.69 11.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.508 ' O ' HG12 ' A' ' 11' ' ' VAL . 38.3 t -111.45 39.58 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 62.32 164.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.419 HD22 HD13 ' A' ' 36' ' ' LEU . 6.1 mt -89.84 -33.48 16.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.05 -64.79 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.439 ' O ' ' CB ' ' A' ' 18' ' ' GLN . 79.5 m -40.3 -63.73 0.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.349 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.919 HD23 HG13 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -44.26 -71.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 109.326 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -39.91 -35.58 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.439 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -61.99 -56.36 19.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -59.3 -66.51 0.5 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 1.175 . . . . 0.0 110.322 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.785 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -42.81 -43.03 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 9.3 tptt -69.49 -40.82 76.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 19' ' ' ARG . 5.0 tp10 -64.69 -47.1 79.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 110.355 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.1 t -62.45 -35.04 67.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.528 HD13 ' CD1' ' A' ' 49' ' ' LEU . 3.0 mt -130.66 86.96 51.17 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.455 1.097 . . . . 0.0 109.395 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.425 ' HD2' ' CE1' ' A' ' 26' ' ' HIS . 18.5 Cg_endo -74.91 52.05 2.92 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.506 1.793 . . . . 0.0 111.083 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.425 ' CE1' ' HD2' ' A' ' 25' ' ' PRO . 1.0 OUTLIER -139.74 -59.74 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.631 1.207 . . . . 0.0 109.56 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 1.046 HG13 HD11 ' A' ' 32' ' ' ILE . 2.5 p -50.92 143.03 16.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.682 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.3 Cg_endo -75.01 162.08 37.7 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.509 1.794 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.8 mt -80.9 -41.64 22.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.36 -40.68 38.75 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.0 OUTLIER -79.3 -46.36 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.563 0.802 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 1.046 HD11 HG13 ' A' ' 27' ' ' VAL . 40.1 mt -53.94 -56.16 10.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -47.06 -51.45 17.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 110.261 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -65.67 -59.39 3.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.81 -41.12 6.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.545 HD22 HD22 ' A' ' 16' ' ' LEU . 27.9 mt -53.32 -41.64 65.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' ARG . . . -59.95 -17.69 39.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.568 ' HD3' HG13 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -85.98 -45.65 11.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.5 p -99.37 -71.13 0.71 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.411 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 93.28 10.49 59.45 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.5 t -134.12 118.47 17.74 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.919 HG13 HD23 ' A' ' 16' ' ' LEU . 7.3 m -47.04 -49.01 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -50.35 -65.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.77 -53.81 14.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.783 HG21 HG11 ' A' ' 20' ' ' VAL . 61.8 m -42.21 -58.34 2.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.367 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.558 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.5 mt -40.91 -66.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.478 HG22 ' HB2' ' A' ' 51' ' ' GLU . 97.8 m -56.49 -51.86 66.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.385 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.962 ' OD1' HG23 ' A' ' 54' ' ' VAL . 7.8 t30 -41.87 -50.57 4.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 109.239 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.528 ' CD1' HD13 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -40.47 -40.78 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.322 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 47' ' ' THR . 3.5 tp -94.14 -68.0 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.478 ' HB2' HG22 ' A' ' 47' ' ' THR . 0.1 OUTLIER -49.61 -87.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.346 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 136.74 49.67 0.07 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.431 1.082 . . . . 0.0 111.03 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.73 -16.12 56.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 109.364 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.962 HG23 ' OD1' ' A' ' 48' ' ' ASN . 60.4 t -45.39 141.19 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.46 167.1 10.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -143.01 136.79 28.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.401 1.063 . . . . 0.0 111.029 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.3 mtt -68.32 113.32 14.62 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 111.053 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 152.39 40.42 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.03 151.49 33.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -141.21 96.5 3.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.261 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 p -158.0 117.72 3.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.435 0.727 . . . . 0.0 110.038 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.5 p -175.33 157.27 2.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.999 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.81 -139.62 4.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.531 1.144 . . . . 0.0 111.053 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.71 147.66 39.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 110.024 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -63.73 126.27 27.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.973 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.16 108.53 1.62 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.456 1.097 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.1 m -157.73 116.54 1.9 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.532 0.784 . . . . 0.0 109.984 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 166.67 28.63 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.452 1.764 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -133.34 107.46 8.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.614 HG12 ' N ' ' A' ' 12' ' ' GLN . 59.5 t -123.53 -112.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.614 ' N ' HG12 ' A' ' 11' ' ' VAL . 1.4 tt0 58.22 164.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.589 1.181 . . . . 0.0 110.323 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.9 mt -90.0 -40.9 12.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.284 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.71 -62.87 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.3 m -39.68 -36.46 0.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 110.411 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.739 ' O ' HG22 ' A' ' 20' ' ' VAL . 71.0 mt -73.58 -61.24 1.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.466 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . . . -40.14 -31.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.426 ' N ' ' C ' ' A' ' 16' ' ' LEU . 2.7 mm-40 -64.93 -54.22 34.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.422 1.077 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 22' ' ' GLU . 4.6 mtt-85 -63.36 -67.49 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.391 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.739 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -39.76 -40.42 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.466 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 26.0 tptt -68.37 -50.87 50.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 19' ' ' ARG . 1.9 mm-40 -43.23 -41.15 3.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.591 1.182 . . . . 0.0 110.375 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.6 t -77.66 -43.24 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.563 HD13 HD13 ' A' ' 49' ' ' LEU . 2.5 mt -123.34 90.48 50.45 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.087 . . . . 0.0 109.235 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -44.23 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.469 1.773 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -42.9 -64.01 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.618 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.784 HG13 HD11 ' A' ' 32' ' ' ILE . 2.5 p -42.94 143.03 1.31 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.686 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.1 Cg_endo -75.02 165.1 32.01 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.52 1.8 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.7 mt -85.27 -34.37 21.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.43 -31.82 67.25 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.576 1.172 . . . . 0.0 111.058 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.442 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.1 p -86.2 -46.11 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.751 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.784 HD11 HG13 ' A' ' 27' ' ' VAL . 13.6 mt -50.57 -51.71 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -46.33 -47.34 18.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.207 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.94 -47.23 39.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -51.7 -33.21 33.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.0 mt -61.8 -57.71 10.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.51 -23.66 41.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.423 ' HG2' HG22 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -64.72 -20.11 66.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.587 1.179 . . . . 0.0 109.269 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 p -138.7 -74.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.378 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.23 19.47 6.28 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 11.4 m -147.8 118.01 7.32 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.71 HG12 HG13 ' A' ' 20' ' ' VAL . 22.4 m -45.24 -55.89 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.521 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -47.09 -61.96 1.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -47.37 -55.16 9.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 61.0 m -42.92 -59.01 2.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.393 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.404 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.6 mt -42.97 -61.77 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.367 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 50' ' ' LEU . 2.8 m -56.45 -62.88 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.383 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -41.15 -44.0 2.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.563 HD13 HD13 ' A' ' 24' ' ' LEU . 1.7 mt -51.97 -48.79 64.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.492 ' O ' HD12 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -72.1 -54.12 10.74 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -46.39 -73.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.414 1.071 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 117.63 44.06 0.56 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.56 -100.46 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 0.743 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.423 HG22 ' HG2' ' A' ' 38' ' ' LYS . 26.1 t 63.13 133.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.77 173.13 7.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -78.26 151.51 33.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.95 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.93 111.73 5.96 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 150.66 38.71 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.33 168.49 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.488 1.118 . . . . 0.0 110.348 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.0 116.38 0.29 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.139 . . . . 0.0 109.362 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -166.86 -55.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 109.957 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m 71.12 -60.78 0.5 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.095 . . . . 0.0 110.006 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.18 -76.43 0.4 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.3 p 41.22 89.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 109.972 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 m -150.6 -61.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.009 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.26 52.52 0.2 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.463 1.102 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.0 t 52.26 92.21 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.513 0.772 . . . . 0.0 109.968 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 158.65 42.16 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.545 1.813 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.9 t0 62.61 140.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.576 1.172 . . . . 0.0 109.307 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.607 HG12 ' N ' ' A' ' 12' ' ' GLN . 59.5 t -126.63 -113.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.607 ' N ' HG12 ' A' ' 11' ' ' VAL . 2.5 pt20 -130.78 161.34 31.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.422 1.076 . . . . 0.0 110.352 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.541 HD23 ' CD1' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -54.85 -48.05 73.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.166 . . . . 0.0 109.23 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.482 ' HB3' ' HG3' ' A' ' 12' ' ' GLN . . . -45.89 -56.08 5.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.4 m -60.41 -35.34 75.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.38 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.68 ' O ' HG22 ' A' ' 20' ' ' VAL . 62.1 mt -64.11 -61.89 1.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -39.95 -31.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 0.0 109.348 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.81 -64.08 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 0.0 110.257 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 22' ' ' GLU . 4.6 mtm180 -52.39 -68.34 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.702 HG13 HG12 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -41.31 -39.89 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.423 1.077 . . . . 0.0 109.353 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.814 ' HD3' HD21 ' A' ' 29' ' ' LEU . 1.4 tptt -69.04 -47.2 65.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -52.9 -35.56 58.27 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.603 HG12 ' HG ' ' A' ' 24' ' ' LEU . 54.8 t -82.02 -41.42 18.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.603 ' HG ' HG12 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -128.1 90.47 47.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -46.23 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.527 1.804 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -40.85 -66.54 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.545 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.689 HG23 ' HD2' ' A' ' 28' ' ' PRO . 2.5 p -41.21 143.03 0.83 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.123 . . . . 0.0 109.307 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.689 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.2 Cg_endo -75.02 171.18 18.82 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.435 1.755 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.814 HD21 ' HD3' ' A' ' 21' ' ' LYS . 72.9 mt -86.62 -47.84 8.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -45.19 -35.47 4.92 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.39 1.056 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.458 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.1 p -81.95 -46.9 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.565 0.803 . . . . 0.0 109.368 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.578 HD12 ' O ' ' A' ' 28' ' ' PRO . 24.0 mt -47.91 -56.65 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -41.81 -42.19 2.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.404 ' C ' ' N ' ' A' ' 36' ' ' LEU . 1.9 mtt-85 -77.54 -55.87 5.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -43.4 -28.5 0.35 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.541 ' CD1' HD23 ' A' ' 13' ' ' LEU . 11.7 mt -70.45 -53.05 17.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.0 -28.32 51.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 1.013 ' O ' HG11 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -58.81 -42.76 89.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.353 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.7 p -114.78 -72.83 0.68 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.486 1.116 . . . . 0.0 110.381 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 113.51 18.82 6.87 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.418 1.074 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -150.04 115.44 5.48 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.702 HG12 HG13 ' A' ' 20' ' ' VAL . 9.7 m -40.71 -50.66 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.03 -57.35 9.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mp -55.02 -52.63 62.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.412 HG21 HG11 ' A' ' 20' ' ' VAL . 20.0 m -41.24 -53.12 3.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.661 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.6 mt -46.31 -71.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.162 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.458 ' N ' HG22 ' A' ' 46' ' ' ILE . 3.1 m -47.17 -54.99 9.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.078 . . . . 0.0 110.369 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -46.1 -48.16 17.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.219 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.8 mt -60.34 -35.3 75.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 47' ' ' THR . 0.3 OUTLIER -61.06 -62.65 1.7 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 109.264 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -103.01 -76.72 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.248 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.693 ' O ' ' HB3' ' A' ' 53' ' ' ALA . . . 166.8 -99.91 0.16 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.507 1.13 . . . . 0.0 111.065 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 52' ' ' GLY . . . 84.69 -48.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 0.743 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 1.013 HG11 ' O ' ' A' ' 38' ' ' LYS . 2.1 t -115.86 -177.79 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.942 ' HB2' ' HG2' ' A' ' 38' ' ' LYS . . . 70.29 84.51 0.14 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -129.7 157.96 40.7 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.56 1.162 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -161.77 120.75 1.44 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.17 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 161.6 38.51 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.484 1.781 . . . . 0.0 110.948 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -104.67 155.91 18.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -179.65 108.68 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.1 mm . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.972 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.79 167.46 4.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 0.734 . . . . 0.0 110.036 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 m -159.51 161.92 35.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.041 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.32 88.34 0.13 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.493 1.121 . . . . 0.0 111.041 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.94 -28.93 0.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 0.728 . . . . 0.0 109.994 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.9 t -70.99 118.85 14.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.052 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.43 126.15 7.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.449 1.093 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.0 p -139.4 151.04 66.05 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.458 0.74 . . . . 0.0 109.986 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.412 ' O ' ' O ' ' A' ' 10' ' ' ASP . 18.3 Cg_endo -75.07 162.21 37.34 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.454 1.765 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.413 ' HB2' HG21 ' A' ' 15' ' ' THR . 0.0 OUTLIER 55.68 106.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.354 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.4 t -134.85 33.78 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.157 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -87.88 154.62 20.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.492 HD22 ' HG2' ' A' ' 33' ' ' GLN . 0.3 OUTLIER -41.49 -56.27 2.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.3 -64.28 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.413 HG21 ' HB2' ' A' ' 10' ' ' ASP . 23.0 m -42.94 -47.18 5.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.428 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.801 ' O ' HG22 ' A' ' 20' ' ' VAL . 67.1 mt -58.92 -62.9 1.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.502 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -39.72 -36.85 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.37 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -55.68 28.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.232 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 22' ' ' GLU . 6.3 mtt180 -60.06 -66.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.801 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -42.43 -42.91 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 23.9 tptt -69.88 -41.62 74.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 19' ' ' ARG . 6.8 tt0 -60.16 -25.04 65.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.0 t -93.97 -37.47 8.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.423 1.077 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 26' ' ' HIS . 6.2 mt -130.48 91.12 38.96 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -35.22 3.34 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.532 1.806 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 24' ' ' LEU . 32.7 p-80 -49.48 -61.53 2.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.626 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.809 HG13 HD11 ' A' ' 32' ' ' ILE . 2.5 p -48.79 143.06 8.54 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.687 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.4 Cg_endo -75.0 162.11 37.65 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.481 1.779 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.3 mt -82.32 -37.06 26.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.361 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.66 -33.3 62.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.459 1.1 . . . . 0.0 110.964 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.413 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 0.6 OUTLIER -86.01 -44.51 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.739 . . . . 0.0 109.254 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.809 HD11 HG13 ' A' ' 27' ' ' VAL . 23.1 mt -50.02 -58.69 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.492 ' HG2' HD22 ' A' ' 13' ' ' LEU . 43.6 mt-30 -45.42 -64.23 0.77 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.143 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.604 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 17.6 ttt180 -53.88 -46.36 71.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 110.293 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 38' ' ' LYS . 30.3 m-20 -55.3 -51.66 65.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.486 HD13 ' HB2' ' A' ' 16' ' ' LEU . 17.3 mt -45.18 -34.89 2.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -63.99 -44.08 93.76 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.806 ' CD ' HG13 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -41.88 -41.04 2.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 109.259 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.433 HG21 HD21 ' A' ' 48' ' ' ASN . 8.5 p -123.08 -80.13 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.345 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 117.13 36.08 1.06 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.544 1.152 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.2 m -153.87 114.87 4.07 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.478 HG23 ' N ' ' A' ' 43' ' ' ASP . 16.0 m -42.03 -54.94 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.478 ' N ' HG23 ' A' ' 42' ' ' VAL . 3.0 m-20 -49.67 -50.21 44.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.7 mp -53.97 -59.67 4.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.9 m -39.21 -56.39 1.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.46 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.6 mt -47.29 -55.54 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 0.0 109.261 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -59.76 -51.76 68.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.493 ' CG ' ' HB3' ' A' ' 53' ' ' ALA . 5.7 m-20 -47.68 -57.31 5.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.0 mt -53.98 -43.7 70.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.42 -64.38 0.85 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.462 1.101 . . . . 0.0 109.234 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -92.93 -95.32 0.15 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.085 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.93 105.8 0.2 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.456 1.098 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.493 ' HB3' ' CG ' ' A' ' 48' ' ' ASN . . . -131.95 71.3 1.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 0.762 . . . . 0.0 109.368 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.806 HG13 ' CD ' ' A' ' 38' ' ' LYS . 76.8 t -127.72 135.39 63.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.253 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -118.91 69.65 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.421 ' O ' ' CD1' ' A' ' 56' ' ' PHE . 32.4 p90 -45.05 137.46 4.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.17 110.18 2.49 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.092 . . . . 0.0 110.946 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 139.31 23.97 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.457 1.767 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.45 165.71 7.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.345 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -172.36 110.93 0.25 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.559 1.162 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.603 1.19 . . . . 0.0 109.32 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.2 p -129.5 109.59 11.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 0.791 . . . . 0.0 109.927 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 t -169.8 90.29 0.19 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.419 1.074 . . . . 0.0 110.043 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.33 -131.2 7.81 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.554 1.159 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.456 ' CB ' ' HG3' ' A' ' 9' ' ' PRO . 95.7 p -77.88 163.11 26.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 m -116.19 139.09 50.7 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.562 1.164 . . . . 0.0 109.954 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.56 -116.19 2.6 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.572 1.17 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.4 t -114.93 104.46 54.07 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.569 0.805 . . . . 0.0 110.082 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.456 ' HG3' ' CB ' ' A' ' 5' ' ' SER . 18.4 Cg_endo -74.92 165.24 31.81 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.521 1.801 . . . . 0.0 111.017 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.768 ' O ' HG21 ' A' ' 15' ' ' THR . 1.6 t0 -177.51 135.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -140.9 41.81 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -87.89 166.96 14.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.309 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -42.64 -56.1 3.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.49 -63.86 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.768 HG21 ' O ' ' A' ' 10' ' ' ASP . 10.5 m -40.13 -39.6 0.94 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.526 1.141 . . . . 0.0 110.433 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.838 ' O ' HG22 ' A' ' 20' ' ' VAL . 45.1 mt -72.76 -52.34 15.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.475 ' HA ' ' CG2' ' A' ' 20' ' ' VAL . . . -44.94 -26.61 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.423 ' N ' ' C ' ' A' ' 16' ' ' LEU . 8.8 tp60 -71.43 -44.45 64.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' LEU . 6.6 mtt180 -74.41 -65.92 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.838 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -39.75 -37.08 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.61 -51.61 27.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 19' ' ' ARG . 2.0 mm-40 -44.17 -34.13 1.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 110.343 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.6 t -85.91 -38.21 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 109.337 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.611 HD23 ' CE1' ' A' ' 26' ' ' HIS . 2.9 mt -126.9 90.19 50.19 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.42 1.075 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -36.47 2.55 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.499 1.789 . . . . 0.0 111.1 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.611 ' CE1' HD23 ' A' ' 24' ' ' LEU . 7.9 p80 -72.65 70.72 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.584 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.689 HG23 ' HD2' ' A' ' 28' ' ' PRO . 2.5 p -179.94 143.06 0.36 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.596 1.185 . . . . 0.0 109.36 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.689 ' HD2' HG23 ' A' ' 27' ' ' VAL . 18.2 Cg_endo -75.03 165.36 31.44 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.57 1.826 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 23.4 mt -80.77 -45.36 17.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -46.61 -51.37 12.68 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.472 1.107 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.3 p -63.27 -47.43 92.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 0.793 . . . . 0.0 109.354 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.514 HD11 HG13 ' A' ' 27' ' ' VAL . 25.4 mt -51.37 -63.62 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -42.44 -55.75 3.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.525 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -53.88 -50.91 65.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 110.312 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -53.23 -47.79 68.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 40' ' ' GLY . 73.7 mt -50.7 -46.91 59.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 34' ' ' ARG . . . -43.75 -27.57 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.421 1.076 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.464 ' HE2' ' CG1' ' A' ' 54' ' ' VAL . 0.1 OUTLIER -72.9 -59.74 2.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.8 p -101.06 -64.81 1.01 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.376 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . 92.75 6.11 64.07 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.581 1.175 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.46 ' HB3' HD13 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -116.96 117.13 28.84 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.587 ' O ' HD12 ' A' ' 46' ' ' ILE . 10.4 m -40.3 -49.33 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.95 -61.36 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.46 HD13 ' HB3' ' A' ' 41' ' ' CYS . 6.4 mp -42.97 -56.59 3.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.0 m -39.7 -53.52 2.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.471 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.587 HD12 ' O ' ' A' ' 42' ' ' VAL . 1.5 mt -52.89 -67.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.407 1.067 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 50' ' ' LEU . 2.2 m -48.18 -51.05 26.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.391 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.586 ' ND2' HG22 ' A' ' 54' ' ' VAL . 38.3 t-20 -43.47 -54.11 5.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.246 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.46 ' HA ' HD23 ' A' ' 49' ' ' LEU . 9.4 mt -61.16 -34.26 74.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' THR . 0.8 OUTLIER -67.88 -39.42 83.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.67 -98.97 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 110.31 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.659 ' O ' HG23 ' A' ' 54' ' ' VAL . . . -139.14 -73.99 0.05 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.472 1.107 . . . . 0.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 40.88 61.73 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.774 . . . . 0.0 109.267 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 52' ' ' GLY . 89.9 t -123.17 156.9 29.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.502 1.126 . . . . 0.0 109.229 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.99 136.3 34.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -73.09 165.24 25.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.7 152.86 46.72 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.989 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 143.83 29.67 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.536 1.808 . . . . 0.0 111.032 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -44.53 160.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -147.7 101.61 3.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.6 pp . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 -179.931 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.66 79.34 9.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 0.749 . . . . 0.0 110.054 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.85 -58.57 0.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.083 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.07 70.71 0.39 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.58 1.175 . . . . 0.0 110.964 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 t -172.95 93.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.575 0.809 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t 56.3 89.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.015 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.03 91.76 0.1 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 0.0 111.04 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.38 85.42 0.48 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 110.031 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 59.88 5.31 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.552 1.817 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -120.32 105.93 11.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.118 . . . . 0.0 109.339 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.609 HG12 ' N ' ' A' ' 12' ' ' GLN . 59.8 t -123.55 -112.39 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.609 ' N ' HG12 ' A' ' 11' ' ' VAL . 8.3 mt-30 -82.66 2.22 34.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -45.66 -60.63 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.94 -63.73 1.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.0 m -41.06 -39.19 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.448 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.801 HD22 HG13 ' A' ' 42' ' ' VAL . 54.3 mt -66.57 -61.94 1.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.263 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.479 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -40.09 -31.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.414 1.071 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.427 ' N ' ' C ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -65.7 -53.57 39.19 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.095 . . . . 0.0 110.304 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 16' ' ' LEU . 0.7 OUTLIER -64.23 -67.42 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.762 HG22 ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -39.61 -43.38 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 17' ' ' ALA . 23.3 tptt -67.82 -49.28 63.13 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -41.87 -44.83 3.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 110.333 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.418 HG12 ' HG ' ' A' ' 24' ' ' LEU . 74.1 t -76.34 -44.44 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.476 ' O ' ' CG1' ' A' ' 27' ' ' VAL . 2.1 mt -123.51 90.25 50.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -35.73 2.96 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.493 1.786 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.409 ' HE1' HD23 ' A' ' 24' ' ' LEU . 12.8 p-80 -47.7 -64.2 0.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.655 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.762 HG13 HD11 ' A' ' 32' ' ' ILE . 2.5 p -41.42 143.06 0.88 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.721 ' O ' HD12 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -75.01 161.21 39.09 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.5 1.789 . . . . 0.0 111.024 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.6 mt -80.81 -33.65 34.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.21 -45.08 94.54 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.466 1.104 . . . . 0.0 110.963 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.438 ' CG1' ' N ' ' A' ' 32' ' ' ILE . 1.1 p -71.68 -46.06 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 0.737 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.762 HD11 HG13 ' A' ' 27' ' ' VAL . 26.6 mt -51.88 -61.4 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -41.59 -38.95 1.47 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -55.71 5.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -48.36 -26.96 2.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.233 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 36' ' ' LEU . 16.5 mt -65.52 -60.18 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.251 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.47 -25.46 51.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.486 ' HG2' HG22 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -59.69 -31.77 69.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.2 p -136.46 -77.93 0.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.353 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.74 33.57 1.39 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -149.51 110.57 4.36 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.801 HG13 HD22 ' A' ' 16' ' ' LEU . 14.9 m -41.21 -55.63 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.082 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.486 ' H ' HG23 ' A' ' 42' ' ' VAL . 0.8 OUTLIER -44.64 -54.47 6.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.247 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.27 -51.95 66.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 97.7 m -45.87 -52.97 10.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.396 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.7 mt -47.15 -53.49 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 51' ' ' GLU . 1.2 m -65.2 -49.72 68.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.356 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -44.14 -45.34 8.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.579 1.175 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.0 mt -58.27 -53.68 55.58 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.578 1.174 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.58 -66.51 0.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.132 . . . . 0.0 109.232 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 47' ' ' THR . 0.3 OUTLIER -54.43 -89.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.607 1.192 . . . . 0.0 110.307 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 129.47 64.35 0.11 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.466 1.104 . . . . 0.0 110.942 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.76 -100.33 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 0.776 . . . . 0.0 109.318 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.486 HG22 ' HG2' ' A' ' 38' ' ' LYS . 53.6 t 63.57 132.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.255 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 54' ' ' VAL . . . 70.03 36.55 1.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.403 ' O ' ' O ' ' A' ' 57' ' ' MET . 13.8 t80 -88.11 -15.54 35.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.403 ' O ' ' O ' ' A' ' 56' ' ' PHE . 0.1 OUTLIER 57.68 115.11 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.181 . . . . 0.0 110.996 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 156.01 42.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.541 1.811 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -128.7 151.05 49.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.8 p-10 -130.69 95.35 3.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.165 . . . . 0.0 109.326 179.952 . . . . . . . . 0 0 . 1 stop_ save_